[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone

C22H26N2O — CID 110249571

IUPAC[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCCC(c2cccc(Cc3ccccc3)n2)C1
InChIInChI=1S/C22H26N2O/c25-22(18-9-4-10-18)24-14-6-11-19(16-24)21-13-5-12-20(23-21)15-17-7-2-1-3-8-17/h1-3,5,7-8,12-13,18-19H,4,6,9-11,14-16H2
InChIKeyKVVISLVRZWUPPK-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.18
Rot. Bonds4

About [3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone

[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone (PubChem CID 110249571) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is [3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
PubChem CID110249571
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCCC(c2cccc(Cc3ccccc3)n2)C1
InChIInChI=1S/C22H26N2O/c25-22(18-9-4-10-18)24-14-6-11-19(16-24)21-13-5-12-20(23-21)15-17-7-2-1-3-8-17/h1-3,5,7-8,12-13,18-19H,4,6,9-11,14-16H2
InChIKeyKVVISLVRZWUPPK-UHFFFAOYSA-N
XLogP4.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110249572
cyclopentyl-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95809983
1-[4-[(3S)-3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95810381
1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
CID 95809601
[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809449
(1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110250008
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235
[4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone
CID 110150708
1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 110249442
1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110254401
1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110249457
cyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110249697

Frequently Asked Questions

What is the IUPAC name of [3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone (CID 110249571) is [3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone is O=C(C1CCC1)N1CCCC(c2cccc(Cc3ccccc3)n2)C1.
What is the InChIKey of [3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone?
The InChIKey is KVVISLVRZWUPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22(18-9-4-10-18)24-14-6-11-19(16-24)21-13-5-12-20(23-21)15-17-7-2-1-3-8-17/h1-3,5,7-8,12-13,18-19H,4,6,9-11,14-16H2.
What are the key properties of [3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone?
[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone has a molecular weight of 334.46 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 110249571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).