(3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide

C24H30N2O3 — CID 95087326

IUPAC(3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Cc3ccc(C)cc3)C2)cc1
InChIInChI=1S/C24H30N2O3/c1-18-5-7-19(8-6-18)15-22(27)26-14-4-13-24(2,17-26)23(28)25-16-20-9-11-21(29-3)12-10-20/h5-12H,4,13-17H2,1-3H3,(H,25,28)/t24-/m0/s1
InChIKeyFWVYAFUSAAEINK-DEOSSOPVSA-N
MW394.52 g/mol
LogP3.49
Rot. Bonds6

About (3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide

(3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide (PubChem CID 95087326) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
PubChem CID95087326
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Cc3ccc(C)cc3)C2)cc1
InChIInChI=1S/C24H30N2O3/c1-18-5-7-19(8-6-18)15-22(27)26-14-4-13-24(2,17-26)23(28)25-16-20-9-11-21(29-3)12-10-20/h5-12H,4,13-17H2,1-3H3,(H,25,28)/t24-/m0/s1
InChIKeyFWVYAFUSAAEINK-DEOSSOPVSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[3-(4-methoxyphenyl)propanoyl]-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087535
(3R)-N-[(4-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087491
(3R)-1-[2-(4-methoxyphenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087420
1-[2-(4-methoxyphenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117073
1-[2-(4-methoxyphenyl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63133873
(3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(3-methylphenoxy)acetyl]piperidine-3-carboxamide
CID 95087343
1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117140
(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087652
3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117136
(3S)-1-[2-(4-fluorophenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087413
1-[2-(4-fluorophenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117070
1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117125

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide (CID 95087326) is (3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide is COc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Cc3ccc(C)cc3)C2)cc1.
What is the InChIKey of (3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide?
The InChIKey is FWVYAFUSAAEINK-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-18-5-7-19(8-6-18)15-22(27)26-14-4-13-24(2,17-26)23(28)25-16-20-9-11-21(29-3)12-10-20/h5-12H,4,13-17H2,1-3H3,(H,25,28)/t24-/m0/s1.
What are the key properties of (3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide?
(3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 95087326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).