3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide

C28H31N3O2 — CID 110232491

IUPAC3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C28H31N3O2/c1-21(2)30-27(33)28(16-8-18-31(20-28)26(32)25-11-6-7-17-29-25)19-22-12-14-24(15-13-22)23-9-4-3-5-10-23/h3-7,9-15,17,21H,8,16,18-20H2,1-2H3,(H,30,33)
InChIKeyKHTYGENNRCRXNV-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.74
Rot. Bonds6

About 3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide

3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide (PubChem CID 110232491) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
PubChem CID110232491
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C28H31N3O2/c1-21(2)30-27(33)28(16-8-18-31(20-28)26(32)25-11-6-7-17-29-25)19-22-12-14-24(15-13-22)23-9-4-3-5-10-23/h3-7,9-15,17,21H,8,16,18-20H2,1-2H3,(H,30,33)
InChIKeyKHTYGENNRCRXNV-UHFFFAOYSA-N
XLogP4.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 92558246
(3S)-1-benzoyl-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579643
(3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579676
N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231370
(3S)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579964
(3S)-1-(2-methoxyacetyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 92579626
(3R)-1-benzoyl-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579911
(3S)-1-benzoyl-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579910
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 110232465
(3R)-N-prop-2-enyl-1-(pyridine-2-carbonyl)-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92548587
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 92604986
(3S)-N-propan-2-yl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579994

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide (CID 110232491) is 3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide is CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2ccccn2)C1.
What is the InChIKey of 3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is KHTYGENNRCRXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-21(2)30-27(33)28(16-8-18-31(20-28)26(32)25-11-6-7-17-29-25)19-22-12-14-24(15-13-22)23-9-4-3-5-10-23/h3-7,9-15,17,21H,8,16,18-20H2,1-2H3,(H,30,33).
What are the key properties of 3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide?
3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 110232491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).