1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide

C27H33N3O6 — CID 40964149

IUPAC1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc(OC)c1OC
InChIInChI=1S/C27H33N3O6/c1-17-5-7-21(8-6-17)30-16-19(13-24(30)31)27(33)29-11-9-18(10-12-29)26(32)28-20-14-22(34-2)25(36-4)23(15-20)35-3/h5-8,14-15,18-19H,9-13,16H2,1-4H3,(H,28,32)/t19-/m0/s1
InChIKeyHANJVOIHESZELO-IBGZPJMESA-N
MW495.58 g/mol
LogP3.25
Rot. Bonds7

About 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide

1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide (PubChem CID 40964149) has the molecular formula C27H33N3O6 and a molecular weight of 495.58 g/mol. Its IUPAC name is 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
PubChem CID40964149
Molecular FormulaC27H33N3O6
Molecular Weight495.58 g/mol
Exact Mass495.24
IUPAC Name1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc(OC)c1OC
InChIInChI=1S/C27H33N3O6/c1-17-5-7-21(8-6-17)30-16-19(13-24(30)31)27(33)29-11-9-18(10-12-29)26(32)28-20-14-22(34-2)25(36-4)23(15-20)35-3/h5-8,14-15,18-19H,9-13,16H2,1-4H3,(H,28,32)/t19-/m0/s1
InChIKeyHANJVOIHESZELO-IBGZPJMESA-N
XLogP3.25
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497512
N-(2,4-dimethoxyphenyl)-1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964094
N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964118
N-(4-acetamidophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964122
N-(4-bromophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964099
1-(4-methoxyphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 6484633
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 7438951
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17081842
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497518
1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 40964120
N-(1,3-benzodioxol-5-yl)-1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 43057084

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide (CID 40964149) is 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide is COc1cc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is HANJVOIHESZELO-IBGZPJMESA-N. The full InChI is InChI=1S/C27H33N3O6/c1-17-5-7-21(8-6-17)30-16-19(13-24(30)31)27(33)29-11-9-18(10-12-29)26(32)28-20-14-22(34-2)25(36-4)23(15-20)35-3/h5-8,14-15,18-19H,9-13,16H2,1-4H3,(H,28,32)/t19-/m0/s1.
What are the key properties of 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide?
1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 40964149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).