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

C28H31N3O2 — CID 92609385

IUPAC(3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C28H31N3O2/c1-29-27(33)28(19-23-10-13-24(14-11-23)25-9-5-17-30-20-25)16-6-18-31(21-28)26(32)15-12-22-7-3-2-4-8-22/h2-5,7-11,13-14,17,20H,6,12,15-16,18-19,21H2,1H3,(H,29,33)/t28-/m1/s1
InChIKeyLQWZUTDDKGSGMI-MUUNZHRXSA-N
MW441.58 g/mol
LogP4.28
Rot. Bonds7

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

(3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92609385) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is (3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92609385
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name(3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C28H31N3O2/c1-29-27(33)28(19-23-10-13-24(14-11-23)25-9-5-17-30-20-25)16-6-18-31(21-28)26(32)15-12-22-7-3-2-4-8-22/h2-5,7-11,13-14,17,20H,6,12,15-16,18-19,21H2,1H3,(H,29,33)/t28-/m1/s1
InChIKeyLQWZUTDDKGSGMI-MUUNZHRXSA-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

(3R)-N-methyl-1-(2-phenoxyacetyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609411
(3R)-N-methyl-1-(2-phenylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609431
N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110232458
N-methyl-1-(3-phenylpropanoyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231696
(3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609452
(3S)-N-methyl-1-[2-(4-methylphenyl)acetyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92557629
N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 129360822
(3S)-N-methyl-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609418
(3R)-N-methyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 95850995
(3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92570850
(3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
CID 95851003
(3S)-N-methyl-1-(3-phenylpropanoyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609735

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 92609385) is (3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of (3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is LQWZUTDDKGSGMI-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-29-27(33)28(19-23-10-13-24(14-11-23)25-9-5-17-30-20-25)16-6-18-31(21-28)26(32)15-12-22-7-3-2-4-8-22/h2-5,7-11,13-14,17,20H,6,12,15-16,18-19,21H2,1H3,(H,29,33)/t28-/m1/s1.
What are the key properties of (3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
(3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-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 (3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92609385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).