(4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane

C114H128N18O10 — CID 159541723

IUPAC(4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane
SMILESC.CC(C)Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1N.CCC(C(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1)c1ccccc1.COc1ccc(CC(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)cc1.Nc1ccc(C(=O)N2CCc3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc32)cc1.O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C28H29N3O2.C22H24N4O2.C22H29N3O.C21H22N4O3.C20H20N4O2.CH4/c29-25-10-8-23(9-11-25)28(33)31-17-14-22-6-7-24(19-26(22)31)27(32)30-15-12-21(13-16-30)18-20-4-2-1-3-5-20;1-2-18(16-6-4-3-5-7-16)22(28)26-12-10-25(11-13-26)21(27)17-8-9-19-20(14-17)24-15-23-19;1-16(2)24-21-9-8-19(15-20(21)23)22(26)25-12-10-18(11-13-25)14-17-6-4-3-5-7-17;1-28-17-5-2-15(3-6-17)12-20(26)24-8-10-25(11-9-24)21(27)16-4-7-18-19(13-16)23-14-22-18;25-19(12-15-4-2-1-3-5-15)23-8-10-24(11-9-23)20(26)16-6-7-17-18(13-16)22-14-21-17;/h1-11,19,21H,12-18,29H2;3-9,14-15,18H,2,10-13H2,1H3,(H,23,24);3-9,15-16,18,24H,10-14,23H2,1-2H3;2-7,13-14H,8-12H2,1H3,(H,22,23);1-7,13-14H,8-12H2,(H,21,22);1H4
InChIKeyMEHJDNZXIXCIIT-UHFFFAOYSA-N
MW1910.39 g/mol
LogP16.62
Rot. Bonds20

About (4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane

(4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane (PubChem CID 159541723) has the molecular formula C114H128N18O10 and a molecular weight of 1910.39 g/mol. Its IUPAC name is (4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane.

Molecular Properties

Compound Name(4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane
PubChem CID159541723
Molecular FormulaC114H128N18O10
Molecular Weight1910.39 g/mol
Exact Mass1909.01
IUPAC Name(4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane
SMILESC.CC(C)Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1N.CCC(C(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1)c1ccccc1.COc1ccc(CC(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)cc1.Nc1ccc(C(=O)N2CCc3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc32)cc1.O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C28H29N3O2.C22H24N4O2.C22H29N3O.C21H22N4O3.C20H20N4O2.CH4/c29-25-10-8-23(9-11-25)28(33)31-17-14-22-6-7-24(19-26(22)31)27(32)30-15-12-21(13-16-30)18-20-4-2-1-3-5-20;1-2-18(16-6-4-3-5-7-16)22(28)26-12-10-25(11-13-26)21(27)17-8-9-19-20(14-17)24-15-23-19;1-16(2)24-21-9-8-19(15-20(21)23)22(26)25-12-10-18(11-13-25)14-17-6-4-3-5-7-17;1-28-17-5-2-15(3-6-17)12-20(26)24-8-10-25(11-9-24)21(27)16-4-7-18-19(13-16)23-14-22-18;25-19(12-15-4-2-1-3-5-15)23-8-10-24(11-9-23)20(26)16-6-7-17-18(13-16)22-14-21-17;/h1-11,19,21H,12-18,29H2;3-9,14-15,18H,2,10-13H2,1H3,(H,23,24);3-9,15-16,18,24H,10-14,23H2,1-2H3;2-7,13-14H,8-12H2,1H3,(H,22,23);1-7,13-14H,8-12H2,(H,21,22);1H4
InChIKeyMEHJDNZXIXCIIT-UHFFFAOYSA-N
XLogP16.62
TPSA342.13 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001910.39
LogP ≤ 516.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane with MolForge

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Related Compounds

(2S)-N-[(2R)-1-[[(2S)-1-[(2R)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[3-(4-methoxyphenyl)propanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide
CID 10057033
2-[(8S,11S,17S,20S,23S,26S,29S,32R)-8-carbamoyl-26,29-bis[(5-fluoro-1H-indol-3-yl)methyl]-20-(1H-imidazol-5-ylmethyl)-17-[(4-methoxyphenyl)methyl]-11,32-dimethyl-2,10,16,19,22,25,28,31,34-nonaoxo-1,9,15,18,21,24,27,30,33-nonazatetracyclo[35.2.2.23,6.011,15]tritetraconta-3(43),4,6(42)-trien-23-yl]acetic acid
CID 166611941
[(4aS)-10-[(4-methoxyphenyl)methyl]-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-benzimidazol-5-yl)methanone
CID 91663505
2-(3,5-difluoro-4-methoxyphenyl)-1-[(2S)-2-[6-[4-[2-[(2S)-1-[2-(3,5-difluoro-4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 67889152
3H-benzimidazol-5-yl-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone;3H-benzimidazol-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 69730441
2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;3,3-dimethyl-5-propan-2-yl-2H-isoindol-1-one;3,3-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)isoindol-1-one;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;3-methyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;molecular hydrogen;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2,3,3-trimethyl-5-propan-2-ylisoindol-1-one
CID 157430738
1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-4-ylbutane-1,4-dione
CID 160191476
5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethoxy)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 161111152
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]aniline;N-[4-methyl-3-[(5-methyl-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-[[3-methyl-4-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]anilino]methyl]phenyl]acetamide;N-[4-methyl-3-[(4-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 161741749
bis(N-[2-[[4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]amino]ethyl]-1-methyl-1-(pyrrolidin-3-ylmethyl)piperidin-1-ium-4-carboxamide);bis(2,2,2-trifluoroacetate)
CID 162384321
Bis([4-[4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]piperazin-1-yl]-[1-methyl-1-(pyrrolidin-3-ylmethyl)piperidin-1-ium-4-yl]methanone);bis(2,2,2-trifluoroacetate)
CID 162384494
bis(N-[3-[[4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]amino]propyl]-1-methyl-1-(pyrrolidin-3-ylmethyl)piperidin-1-ium-4-carboxamide);bis(2,2,2-trifluoroacetate)
CID 162384739

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane?
The IUPAC name of (4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane (CID 159541723) is (4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane.
What is the SMILES notation for (4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane?
The canonical SMILES for (4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane is C.CC(C)Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1N.CCC(C(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1)c1ccccc1.COc1ccc(CC(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)cc1.Nc1ccc(C(=O)N2CCc3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc32)cc1.O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of (4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane?
The InChIKey is MEHJDNZXIXCIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2.C22H24N4O2.C22H29N3O.C21H22N4O3.C20H20N4O2.CH4/c29-25-10-8-23(9-11-25)28(33)31-17-14-22-6-7-24(19-26(22)31)27(32)30-15-12-21(13-16-30)18-20-4-2-1-3-5-20;1-2-18(16-6-4-3-5-7-16)22(28)26-12-10-25(11-13-26)21(27)17-8-9-19-20(14-17)24-15-23-19;1-16(2)24-21-9-8-19(15-20(21)23)22(26)25-12-10-18(11-13-25)14-17-6-4-3-5-7-17;1-28-17-5-2-15(3-6-17)12-20(26)24-8-10-25(11-9-24)21(27)16-4-7-18-19(13-16)23-14-22-18;25-19(12-15-4-2-1-3-5-15)23-8-10-24(11-9-23)20(26)16-6-7-17-18(13-16)22-14-21-17;/h1-11,19,21H,12-18,29H2;3-9,14-15,18H,2,10-13H2,1H3,(H,23,24);3-9,15-16,18,24H,10-14,23H2,1-2H3;2-7,13-14H,8-12H2,1H3,(H,22,23);1-7,13-14H,8-12H2,(H,21,22);1H4.
What are the key properties of (4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane?
(4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane has a molecular weight of 1910.39 g/mol, XLogP of 16.62, 20 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[6-(4-benzylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]methanone;[3-amino-4-(propan-2-ylamino)phenyl]-(4-benzylpiperidin-1-yl)methanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one;1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylethanone;methane is sourced from PubChem (CID 159541723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).