N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide

C28H31N3O2 — CID 95805527

IUPACN-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C28H31N3O2/c1-29-27(33)28(21-24-9-5-6-10-25(24)23-13-17-30-18-14-23)15-19-31(20-16-28)26(32)12-11-22-7-3-2-4-8-22/h2-10,13-14,17-18H,11-12,15-16,19-21H2,1H3,(H,29,33)
InChIKeyWCWRRTGCKFUYBA-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.28
Rot. Bonds7

About N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide

N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 95805527) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID95805527
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C28H31N3O2/c1-29-27(33)28(21-24-9-5-6-10-25(24)23-13-17-30-18-14-23)15-19-31(20-16-28)26(32)12-11-22-7-3-2-4-8-22/h2-10,13-14,17-18H,11-12,15-16,19-21H2,1H3,(H,29,33)
InChIKeyWCWRRTGCKFUYBA-UHFFFAOYSA-N
XLogP4.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-methyl-1-(3-phenylpropanoyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609735
N-methyl-1-(3-phenylpropanoyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231696
1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083413
(3S)-N-methyl-1-(2-phenoxyacetyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609749
N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231154
(3S)-1-[2-(4-methoxyphenyl)acetyl]-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609767
(3S)-1-(2-cyclopentylacetyl)-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609711
N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 129360850
(3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92586242
1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083470
(3R)-1-(2-cyclohexylacetyl)-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609716
1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231146

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (CID 95805527) is N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is WCWRRTGCKFUYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-29-27(33)28(21-24-9-5-6-10-25(24)23-13-17-30-18-14-23)15-19-31(20-16-28)26(32)12-11-22-7-3-2-4-8-22/h2-10,13-14,17-18H,11-12,15-16,19-21H2,1H3,(H,29,33).
What are the key properties of N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 95805527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).