(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide

C25H29N3O4 — CID 92596864

IUPAC(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)[C@H]4CCC(=O)N4)C3)cc2)cc1
InChIInChI=1S/C25H29N3O4/c1-32-20-9-7-19(8-10-20)18-5-3-17(4-6-18)15-25(24(26)31)13-2-14-28(16-25)23(30)21-11-12-22(29)27-21/h3-10,21H,2,11-16H2,1H3,(H2,26,31)(H,27,29)/t21-,25+/m1/s1
InChIKeyJPASCXPSCUTBSI-BWKNWUBXSA-N
MW435.52 g/mol
LogP2.28
Rot. Bonds6

About (3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide

(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide (PubChem CID 92596864) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is (3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide
PubChem CID92596864
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)[C@H]4CCC(=O)N4)C3)cc2)cc1
InChIInChI=1S/C25H29N3O4/c1-32-20-9-7-19(8-10-20)18-5-3-17(4-6-18)15-25(24(26)31)13-2-14-28(16-25)23(30)21-11-12-22(29)27-21/h3-10,21H,2,11-16H2,1H3,(H2,26,31)(H,27,29)/t21-,25+/m1/s1
InChIKeyJPASCXPSCUTBSI-BWKNWUBXSA-N
XLogP2.28
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide with MolForge

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Related Compounds

ethyl 4-[(4-methoxyphenyl)methyl]-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-4-carboxylate
CID 42191586
3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxamide
CID 110232632
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxamide
CID 92596902
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide
CID 92602397
(3S)-N-ethyl-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidine-3-carboxamide
CID 92591842
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69475295
N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 110243961
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585095
(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585094
1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 110232610
1-[(3,5-dimethoxyphenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232347
3-[[4-(4-methylphenyl)phenyl]methyl]-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide
CID 110232533

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide (CID 92596864) is (3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide is COc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)[C@H]4CCC(=O)N4)C3)cc2)cc1.
What is the InChIKey of (3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide?
The InChIKey is JPASCXPSCUTBSI-BWKNWUBXSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-32-20-9-7-19(8-10-20)18-5-3-17(4-6-18)15-25(24(26)31)13-2-14-28(16-25)23(30)21-11-12-22(29)27-21/h3-10,21H,2,11-16H2,1H3,(H2,26,31)(H,27,29)/t21-,25+/m1/s1.
What are the key properties of (3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide?
(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 92596864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).