[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone

C24H25N3O — CID 110253819

IUPAC[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc(Cc2ccccc2)cc(C2CCCN(C(=O)c3ccncc3)C2)n1
InChIInChI=1S/C24H25N3O/c1-18-14-20(15-19-6-3-2-4-7-19)16-23(26-18)22-8-5-13-27(17-22)24(28)21-9-11-25-12-10-21/h2-4,6-7,9-12,14,16,22H,5,8,13,15,17H2,1H3
InChIKeyWUUVBRAHFJQWBT-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.40
Rot. Bonds4

About [3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone

[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110253819) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is [3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID110253819
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc(Cc2ccccc2)cc(C2CCCN(C(=O)c3ccncc3)C2)n1
InChIInChI=1S/C24H25N3O/c1-18-14-20(15-19-6-3-2-4-7-19)16-23(26-18)22-8-5-13-27(17-22)24(28)21-9-11-25-12-10-21/h2-4,6-7,9-12,14,16,22H,5,8,13,15,17H2,1H3
InChIKeyWUUVBRAHFJQWBT-UHFFFAOYSA-N
XLogP4.40
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95816362
[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816331
1-[(3R)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95816388
1-[3-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 110253844
[(3R)-3-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816332
N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
CID 110253883
[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110252560
[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95816441
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95814437
1-[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 95814073
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95814280
1-[4-[(3R)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95816466

Frequently Asked Questions

What is the IUPAC name of [3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 110253819) is [3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone is Cc1cc(Cc2ccccc2)cc(C2CCCN(C(=O)c3ccncc3)C2)n1.
What is the InChIKey of [3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is WUUVBRAHFJQWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-18-14-20(15-19-6-3-2-4-7-19)16-23(26-18)22-8-5-13-27(17-22)24(28)21-9-11-25-12-10-21/h2-4,6-7,9-12,14,16,22H,5,8,13,15,17H2,1H3.
What are the key properties of [3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone?
[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 371.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110253819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).