cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone

C22H27N3O — CID 95093558

IUPACcyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2nccc([C@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1
InChIInChI=1S/C22H27N3O/c1-16-6-4-9-18(14-16)21-23-12-11-20(24-21)19-10-5-13-25(15-19)22(26)17-7-2-3-8-17/h4,6,9,11-12,14,17,19H,2-3,5,7-8,10,13,15H2,1H3/t19-/m0/s1
InChIKeyAKJGRAZGFIWOTP-IBGZPJMESA-N
MW349.48 g/mol
LogP4.35
Rot. Bonds3

About cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone

cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 95093558) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID95093558
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Namecyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2nccc([C@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1
InChIInChI=1S/C22H27N3O/c1-16-6-4-9-18(14-16)21-23-12-11-20(24-21)19-10-5-13-25(15-19)22(26)17-7-2-3-8-17/h4,6,9,11-12,14,17,19H,2-3,5,7-8,10,13,15H2,1H3/t19-/m0/s1
InChIKeyAKJGRAZGFIWOTP-IBGZPJMESA-N
XLogP4.35
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819177
cyclohexyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137660
cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093689
1-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 95093556
N-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide
CID 50844053
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
cyclopentyl-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95809983
cyclobutyl-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110249572
(3,4-dimethylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137615
1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 95093754
(2-methylphenyl)-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137639
3-methyl-1-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 95093486

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 95093558) is cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone is Cc1cccc(-c2nccc([C@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1.
What is the InChIKey of cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is AKJGRAZGFIWOTP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O/c1-16-6-4-9-18(14-16)21-23-12-11-20(24-21)19-10-5-13-25(15-19)22(26)17-7-2-3-8-17/h4,6,9,11-12,14,17,19H,2-3,5,7-8,10,13,15H2,1H3/t19-/m0/s1.
What are the key properties of cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 349.48 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95093558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).