3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one

C71H82N6O14 — CID 158615769

IUPAC3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESCN(C)C[C@@H]1COC(=O)N1C(=O)c1ccc(OCCc2ccccc2)cc1.C[C@@H]1COC(=O)N1C(=O)CCCCCc1ccccc1.O=C(Cc1ccc(OCc2ccccc2)cc1)N1CCOC1=O.O=C1OCCN1C(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O4.C18H17NO4.C16H20N2O3.C16H21NO3/c1-22(2)14-18-15-27-21(25)23(18)20(24)17-8-10-19(11-9-17)26-13-12-16-6-4-3-5-7-16;20-17(19-10-11-22-18(19)21)12-14-6-8-16(9-7-14)23-13-15-4-2-1-3-5-15;19-15(18-10-11-21-16(18)20)14-6-8-17(9-7-14)12-13-4-2-1-3-5-13;1-13-12-20-16(19)17(13)15(18)11-7-3-6-10-14-8-4-2-5-9-14/h3-11,18H,12-15H2,1-2H3;1-9H,10-13H2;1-5,14H,6-12H2;2,4-5,8-9,13H,3,6-7,10-12H2,1H3/t18-;;;13-/m1..1/s1
InChIKeyHXJFMNPOZQAXCY-IIQIUTIASA-N
MW1243.46 g/mol
LogP10.65
Rot. Bonds21

About 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one

3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 158615769) has the molecular formula C71H82N6O14 and a molecular weight of 1243.46 g/mol. Its IUPAC name is 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID158615769
Molecular FormulaC71H82N6O14
Molecular Weight1243.46 g/mol
Exact Mass1242.59
IUPAC Name3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESCN(C)C[C@@H]1COC(=O)N1C(=O)c1ccc(OCCc2ccccc2)cc1.C[C@@H]1COC(=O)N1C(=O)CCCCCc1ccccc1.O=C(Cc1ccc(OCc2ccccc2)cc1)N1CCOC1=O.O=C1OCCN1C(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O4.C18H17NO4.C16H20N2O3.C16H21NO3/c1-22(2)14-18-15-27-21(25)23(18)20(24)17-8-10-19(11-9-17)26-13-12-16-6-4-3-5-7-16;20-17(19-10-11-22-18(19)21)12-14-6-8-16(9-7-14)23-13-15-4-2-1-3-5-15;19-15(18-10-11-21-16(18)20)14-6-8-17(9-7-14)12-13-4-2-1-3-5-13;1-13-12-20-16(19)17(13)15(18)11-7-3-6-10-14-8-4-2-5-9-14/h3-11,18H,12-15H2,1-2H3;1-9H,10-13H2;1-5,14H,6-12H2;2,4-5,8-9,13H,3,6-7,10-12H2,1H3/t18-;;;13-/m1..1/s1
InChIKeyHXJFMNPOZQAXCY-IIQIUTIASA-N
XLogP10.65
TPSA211.38 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001243.46
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

benzyl (3S)-3-ethyl-4-[3-(4-fluorophenyl)-4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxybenzoyl]piperazine-1-carboxylate
CID 162446118
benzyl (3S)-4-[3-(4-fluorophenyl)-4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxybenzoyl]-3-propan-2-ylpiperazine-1-carboxylate
CID 162446121
benzyl (3S)-4-[3-(4-fluorophenyl)-4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxybenzoyl]-3-methylpiperazine-1-carboxylate
CID 162446129
(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one
CID 132155629
(4S,5R)-4-Benzyloxy-5-[4-(cyclohexanecarbonyl)phenyl]-1-(4-methoxybenzyl)pyrrolidin-2-one
CID 139086420
benzyl 4-[3-cyclohexyl-4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxybenzoyl]piperazine-1-carboxylate
CID 130471622
Ethane;3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
CID 145071099
3-(3-Phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
CID 145071104
(2S)-N-[(4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(4-acetylphenoxy)-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,3-dimethylbutanamide;[(2R)-2-[[(2R,3R)-3-[(2S)-1-[(4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-1-phenylpropyl] 6-oxo-6-phenylhexanoate;[(1S,2R)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-2-methylpropanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-1-phenylpropyl] 4-acetylbenzoate;methane
CID 157071853
5-[4-[2-[4-(1,3-Dioxo-2-propan-2-ylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-propan-2-ylisoindole-1,3-dione;5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)oxy-2-propan-2-ylisoindole-1,3-dione
CID 157904091
[1-[5-[4-[2-[4-(1,3-Dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-3-[5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]propan-2-yl] 2-methylprop-2-enoate
CID 158178145
1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one
CID 158449458

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one (CID 158615769) is 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one is CN(C)C[C@@H]1COC(=O)N1C(=O)c1ccc(OCCc2ccccc2)cc1.C[C@@H]1COC(=O)N1C(=O)CCCCCc1ccccc1.O=C(Cc1ccc(OCc2ccccc2)cc1)N1CCOC1=O.O=C1OCCN1C(=O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is HXJFMNPOZQAXCY-IIQIUTIASA-N. The full InChI is InChI=1S/C21H24N2O4.C18H17NO4.C16H20N2O3.C16H21NO3/c1-22(2)14-18-15-27-21(25)23(18)20(24)17-8-10-19(11-9-17)26-13-12-16-6-4-3-5-7-16;20-17(19-10-11-22-18(19)21)12-14-6-8-16(9-7-14)23-13-15-4-2-1-3-5-15;19-15(18-10-11-21-16(18)20)14-6-8-17(9-7-14)12-13-4-2-1-3-5-13;1-13-12-20-16(19)17(13)15(18)11-7-3-6-10-14-8-4-2-5-9-14/h3-11,18H,12-15H2,1-2H3;1-9H,10-13H2;1-5,14H,6-12H2;2,4-5,8-9,13H,3,6-7,10-12H2,1H3/t18-;;;13-/m1..1/s1.
What are the key properties of 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 1243.46 g/mol, XLogP of 10.65, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidine-4-carbonyl)-1,3-oxazolidin-2-one;(4R)-4-[(dimethylamino)methyl]-3-[4-(2-phenylethoxy)benzoyl]-1,3-oxazolidin-2-one;(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one;3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 158615769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).