cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone

C23H28N2O — CID 124980635

IUPACcyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C23H28N2O/c1-17-14-21(18-8-3-2-4-9-18)15-22(24-17)20-12-7-13-25(16-20)23(26)19-10-5-6-11-19/h2-4,8-9,14-15,19-20H,5-7,10-13,16H2,1H3/t20-/m0/s1
InChIKeyMKJHNRMHGLXLPY-FQEVSTJZSA-N
MW348.49 g/mol
LogP4.95
Rot. Bonds3

About cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone

cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone (PubChem CID 124980635) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
PubChem CID124980635
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Namecyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C23H28N2O/c1-17-14-21(18-8-3-2-4-9-18)15-22(24-17)20-12-7-13-25(16-20)23(26)19-10-5-6-11-19/h2-4,8-9,14-15,19-20H,5-7,10-13,16H2,1H3/t20-/m0/s1
InChIKeyMKJHNRMHGLXLPY-FQEVSTJZSA-N
XLogP4.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110091917
(4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 125003710
4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
CID 110091936
4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 124991722
3-[(3R)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
CID 129459783
(3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one
CID 124963538
cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 110264956
(5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 124976368
3-methyl-2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 124998727
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 125017351
cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093558
(4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 124993796

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone (CID 124980635) is cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone is Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1.
What is the InChIKey of cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is MKJHNRMHGLXLPY-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N2O/c1-17-14-21(18-8-3-2-4-9-18)15-22(24-17)20-12-7-13-25(16-20)23(26)19-10-5-6-11-19/h2-4,8-9,14-15,19-20H,5-7,10-13,16H2,1H3/t20-/m0/s1.
What are the key properties of cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone?
cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 348.49 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124980635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).