(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

C28H31N3O2 — CID 42291904

IUPAC(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CCC(=O)N(CCc2ccccn2)C1
InChIInChI=1S/C28H31N3O2/c32-27-15-14-24(21-31(27)20-17-25-13-7-8-18-29-25)28(33)30-19-16-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,18,24,26H,14-17,19-21H2,(H,30,33)/t24-/m1/s1
InChIKeyHAFZRFLOKBKDGV-XMMPIXPASA-N
MW441.57 g/mol
LogP4.20
Rot. Bonds9

About (3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (PubChem CID 42291904) has the molecular formula C28H31N3O2 and a molecular weight of 441.57 g/mol. Its IUPAC name is (3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
PubChem CID42291904
Molecular FormulaC28H31N3O2
Molecular Weight441.57 g/mol
Exact Mass441.24
IUPAC Name(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CCC(=O)N(CCc2ccccn2)C1
InChIInChI=1S/C28H31N3O2/c32-27-15-14-24(21-31(27)20-17-25-13-7-8-18-29-25)28(33)30-19-16-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,18,24,26H,14-17,19-21H2,(H,30,33)/t24-/m1/s1
InChIKeyHAFZRFLOKBKDGV-XMMPIXPASA-N
XLogP4.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022
(3R)-6-oxo-N-(2-propan-2-yloxyethyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 97155814
(3R)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 29256977
(3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide
CID 42395118
N-(3-indazol-1-ylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 45171237
(3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 30876883
1-(cyclohexylmethyl)-6-oxo-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45188915
(3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 42595323
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97151949
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 45225388
(5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 26405057
(3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 42292351

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (CID 42291904) is (3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CCC(=O)N(CCc2ccccn2)C1.
What is the InChIKey of (3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is HAFZRFLOKBKDGV-XMMPIXPASA-N. The full InChI is InChI=1S/C28H31N3O2/c32-27-15-14-24(21-31(27)20-17-25-13-7-8-18-29-25)28(33)30-19-16-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,18,24,26H,14-17,19-21H2,(H,30,33)/t24-/m1/s1.
What are the key properties of (3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 441.57 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42291904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).