(3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

C25H27N3O — CID 92574804

IUPAC(3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C25H27N3O/c26-24(29)25(13-7-15-28(19-25)18-20-8-2-1-3-9-20)16-21-10-4-5-12-23(21)22-11-6-14-27-17-22/h1-6,8-12,14,17H,7,13,15-16,18-19H2,(H2,26,29)/t25-/m0/s1
InChIKeyXTRMLNVUZKHIMN-VWLOTQADSA-N
MW385.51 g/mol
LogP4.06
Rot. Bonds6

About (3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

(3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92574804) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is (3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92574804
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name(3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C25H27N3O/c26-24(29)25(13-7-15-28(19-25)18-20-8-2-1-3-9-20)16-21-10-4-5-12-23(21)22-11-6-14-27-17-22/h1-6,8-12,14,17H,7,13,15-16,18-19H2,(H2,26,29)/t25-/m0/s1
InChIKeyXTRMLNVUZKHIMN-VWLOTQADSA-N
XLogP4.06
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231909
(3R)-1-(2-phenylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92574350
(3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609626
(3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92575331
1-[(3,4-dimethoxyphenyl)methyl]-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232730
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92572593
(3S)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92580032
(3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592155
1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805544
3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 56862776
(3S)-3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 95403155
N-prop-2-ynyl-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231116

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 92574804) is (3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is XTRMLNVUZKHIMN-VWLOTQADSA-N. The full InChI is InChI=1S/C25H27N3O/c26-24(29)25(13-7-15-28(19-25)18-20-8-2-1-3-9-20)16-21-10-4-5-12-23(21)22-11-6-14-27-17-22/h1-6,8-12,14,17H,7,13,15-16,18-19H2,(H2,26,29)/t25-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
(3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92574804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).