N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide

C134H139Cl2F3N16O12S — CID 158078908

IUPACN-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C(=O)c2c[nH]c3ccc(Cl)cc23)CC1.CCC(=O)N(c1ccccc1)C1CCN(C(=O)c2cc(F)cc(F)c2)CC1.CCC(=O)N(c1ccccc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.CCC(=O)N(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3s2)CC1.[C-]#[N+]c1ccc(C(=O)N2CCC(N(C(=O)CC)c3ccccc3)CC2)c(F)c1.[C-]#[N+]c1ccc(C(=O)N2CCC(N(C(=O)CC)c3ccccc3)CC2)cc1
InChIInChI=1S/2C23H24ClN3O2.C23H24N2O2S.C22H22FN3O2.C22H23N3O2.C21H22F2N2O2/c1-2-22(28)27(18-6-4-3-5-7-18)19-10-12-26(13-11-19)23(29)21-15-16-14-17(24)8-9-20(16)25-21;1-2-22(28)27(17-6-4-3-5-7-17)18-10-12-26(13-11-18)23(29)20-15-25-21-9-8-16(24)14-19(20)21;1-2-22(26)25(18-9-4-3-5-10-18)19-12-14-24(15-13-19)23(27)21-16-17-8-6-7-11-20(17)28-21;1-3-21(27)26(17-7-5-4-6-8-17)18-11-13-25(14-12-18)22(28)19-10-9-16(24-2)15-20(19)23;1-3-21(26)25(19-7-5-4-6-8-19)20-13-15-24(16-14-20)22(27)17-9-11-18(23-2)12-10-17;1-2-20(26)25(18-6-4-3-5-7-18)19-8-10-24(11-9-19)21(27)15-12-16(22)14-17(23)13-15/h3-9,14-15,19,25H,2,10-13H2,1H3;3-9,14-15,18,25H,2,10-13H2,1H3;3-11,16,19H,2,12-15H2,1H3;4-10,15,18H,3,11-14H2,1H3;4-12,20H,3,13-16H2,1H3;3-7,12-14,19H,2,8-11H2,1H3
InChIKeyFMSCLNVRPKHFBV-UHFFFAOYSA-N
MW2325.65 g/mol
LogP27.41
Rot. Bonds24

About N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide

N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 158078908) has the molecular formula C134H139Cl2F3N16O12S and a molecular weight of 2325.65 g/mol. Its IUPAC name is N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID158078908
Molecular FormulaC134H139Cl2F3N16O12S
Molecular Weight2325.65 g/mol
Exact Mass2322.98
IUPAC NameN-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C(=O)c2c[nH]c3ccc(Cl)cc23)CC1.CCC(=O)N(c1ccccc1)C1CCN(C(=O)c2cc(F)cc(F)c2)CC1.CCC(=O)N(c1ccccc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.CCC(=O)N(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3s2)CC1.[C-]#[N+]c1ccc(C(=O)N2CCC(N(C(=O)CC)c3ccccc3)CC2)c(F)c1.[C-]#[N+]c1ccc(C(=O)N2CCC(N(C(=O)CC)c3ccccc3)CC2)cc1
InChIInChI=1S/2C23H24ClN3O2.C23H24N2O2S.C22H22FN3O2.C22H23N3O2.C21H22F2N2O2/c1-2-22(28)27(18-6-4-3-5-7-18)19-10-12-26(13-11-19)23(29)21-15-16-14-17(24)8-9-20(16)25-21;1-2-22(28)27(17-6-4-3-5-7-17)18-10-12-26(13-11-18)23(29)20-15-25-21-9-8-16(24)14-19(20)21;1-2-22(26)25(18-9-4-3-5-10-18)19-12-14-24(15-13-19)23(27)21-16-17-8-6-7-11-20(17)28-21;1-3-21(27)26(17-7-5-4-6-8-17)18-11-13-25(14-12-18)22(28)19-10-9-16(24-2)15-20(19)23;1-3-21(26)25(19-7-5-4-6-8-19)20-13-15-24(16-14-20)22(27)17-9-11-18(23-2)12-10-17;1-2-20(26)25(18-6-4-3-5-7-18)19-8-10-24(11-9-19)21(27)15-12-16(22)14-17(23)13-15/h3-9,14-15,19,25H,2,10-13H2,1H3;3-9,14-15,18,25H,2,10-13H2,1H3;3-11,16,19H,2,12-15H2,1H3;4-10,15,18H,3,11-14H2,1H3;4-12,20H,3,13-16H2,1H3;3-7,12-14,19H,2,8-11H2,1H3
InChIKeyFMSCLNVRPKHFBV-UHFFFAOYSA-N
XLogP27.41
TPSA284.02 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002325.65
LogP ≤ 527.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide with MolForge

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-(5-chloro-1-benzothiophen-2-yl)methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-indol-2-yl]methanone
CID 117978609
N-(6-chloro-3-pyridinyl)benzamide;N-(6-chloro-3-pyridinyl)-1-benzothiophene-2-carboxamide;N-(6-chloro-3-pyridinyl)-5-ethyl-1H-indole-2-carboxamide;N-(6-chloro-3-pyridinyl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(6-chloro-3-pyridinyl)-1H-indole-2-carboxamide;3,4-difluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide;5-fluoro-N-(6-methyl-3-pyridinyl)-1H-indole-2-carboxamide
CID 158441301
6-[[7-[5-Chloro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 175711922
3-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide
CID 70104917
1-(1-benzothiophene-2-carbonyl)-N-[(2R)-1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 70104943
1-(5-acetylthiophene-2-carbonyl)-N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 70105827
1-(5-acetylthiophene-2-carbonyl)-N-[(2R)-1-[(3S)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 70105828
1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 142056033
N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide
CID 157465325
N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 158414262
4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide
CID 158765013

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide (CID 158078908) is N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(C(=O)c2c[nH]c3ccc(Cl)cc23)CC1.CCC(=O)N(c1ccccc1)C1CCN(C(=O)c2cc(F)cc(F)c2)CC1.CCC(=O)N(c1ccccc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.CCC(=O)N(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3s2)CC1.[C-]#[N+]c1ccc(C(=O)N2CCC(N(C(=O)CC)c3ccccc3)CC2)c(F)c1.[C-]#[N+]c1ccc(C(=O)N2CCC(N(C(=O)CC)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is FMSCLNVRPKHFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24ClN3O2.C23H24N2O2S.C22H22FN3O2.C22H23N3O2.C21H22F2N2O2/c1-2-22(28)27(18-6-4-3-5-7-18)19-10-12-26(13-11-19)23(29)21-15-16-14-17(24)8-9-20(16)25-21;1-2-22(28)27(17-6-4-3-5-7-17)18-10-12-26(13-11-18)23(29)20-15-25-21-9-8-16(24)14-19(20)21;1-2-22(26)25(18-9-4-3-5-10-18)19-12-14-24(15-13-19)23(27)21-16-17-8-6-7-11-20(17)28-21;1-3-21(27)26(17-7-5-4-6-8-17)18-11-13-25(14-12-18)22(28)19-10-9-16(24-2)15-20(19)23;1-3-21(26)25(19-7-5-4-6-8-19)20-13-15-24(16-14-20)22(27)17-9-11-18(23-2)12-10-17;1-2-20(26)25(18-6-4-3-5-7-18)19-8-10-24(11-9-19)21(27)15-12-16(22)14-17(23)13-15/h3-9,14-15,19,25H,2,10-13H2,1H3;3-9,14-15,18,25H,2,10-13H2,1H3;3-11,16,19H,2,12-15H2,1H3;4-10,15,18H,3,11-14H2,1H3;4-12,20H,3,13-16H2,1H3;3-7,12-14,19H,2,8-11H2,1H3.
What are the key properties of N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide?
N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 2325.65 g/mol, XLogP of 27.41, 24 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(2-fluoro-4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(4-isocyanobenzoyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 158078908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).