1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone

C20H24N2O — CID 110254401

IUPAC1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2cccc(Cc3cccc(C)c3)n2)C1
InChIInChI=1S/C20H24N2O/c1-15-6-3-7-17(12-15)13-19-9-4-10-20(21-19)18-8-5-11-22(14-18)16(2)23/h3-4,6-7,9-10,12,18H,5,8,11,13-14H2,1-2H3
InChIKeyDAQBOHPHUWRBKI-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.71
Rot. Bonds3

About 1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone

1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110254401) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID110254401
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2cccc(Cc3cccc(C)c3)n2)C1
InChIInChI=1S/C20H24N2O/c1-15-6-3-7-17(12-15)13-19-9-4-10-20(21-19)18-8-5-11-22(14-18)16(2)23/h3-4,6-7,9-10,12,18H,5,8,11,13-14H2,1-2H3
InChIKeyDAQBOHPHUWRBKI-UHFFFAOYSA-N
XLogP3.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810462
(4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95809016
[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129454897
(3S)-N,N-dimethyl-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809648
2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
CID 95809284
2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine
CID 110249875
1-[4-[(3R)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95816466
[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
CID 110249571
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone (CID 110254401) is 1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2cccc(Cc3cccc(C)c3)n2)C1.
What is the InChIKey of 1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is DAQBOHPHUWRBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-6-3-7-17(12-15)13-19-9-4-10-20(21-19)18-8-5-11-22(14-18)16(2)23/h3-4,6-7,9-10,12,18H,5,8,11,13-14H2,1-2H3.
What are the key properties of 1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 308.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110254401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).