cyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone

C23H28N2O2 — CID 110249697

IUPACcyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCC(c2cccc(-c3cccc(CO)c3)n2)C1
InChIInChI=1S/C23H28N2O2/c26-16-17-6-3-9-19(14-17)21-11-4-12-22(24-21)20-10-5-13-25(15-20)23(27)18-7-1-2-8-18/h3-4,6,9,11-12,14,18,20,26H,1-2,5,7-8,10,13,15-16H2
InChIKeyAGJZYQNJJPPKCR-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.14
Rot. Bonds4

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

cyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110249697) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is cyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID110249697
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Namecyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCC(c2cccc(-c3cccc(CO)c3)n2)C1
InChIInChI=1S/C23H28N2O2/c26-16-17-6-3-9-19(14-17)21-11-4-12-22(24-21)20-10-5-13-25(15-20)23(27)18-7-1-2-8-18/h3-4,6,9,11-12,14,18,20,26H,1-2,5,7-8,10,13,15-16H2
InChIKeyAGJZYQNJJPPKCR-UHFFFAOYSA-N
XLogP4.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95809673
3-[6-[(3S)-1-(1-methylpiperidine-4-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 95810732
[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
CID 110249571
[3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110249997
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
cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093558
cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 124980635
1-[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95809371
2-hydroxy-1-[3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 155899913
3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-4-[4-[3-(hydroxymethyl)phenyl]phenyl]-1H-1,2,4-triazol-5-one
CID 71113592
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809769

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone (CID 110249697) is cyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone is O=C(C1CCCC1)N1CCCC(c2cccc(-c3cccc(CO)c3)n2)C1.
What is the InChIKey of cyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is AGJZYQNJJPPKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-16-17-6-3-9-19(14-17)21-11-4-12-22(24-21)20-10-5-13-25(15-20)23(27)18-7-1-2-8-18/h3-4,6,9,11-12,14,18,20,26H,1-2,5,7-8,10,13,15-16H2.
What are the key properties of cyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?
cyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 364.49 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110249697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).