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

C23H28N2O — CID 127251981

IUPACcyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone
SMILESCc1ccccc1Cc1ccc(C2CCCCN2C(=O)C2CCC2)cn1
InChIInChI=1S/C23H28N2O/c1-17-7-2-3-8-19(17)15-21-13-12-20(16-24-21)22-11-4-5-14-25(22)23(26)18-9-6-10-18/h2-3,7-8,12-13,16,18,22H,4-6,9-11,14-15H2,1H3
InChIKeyWPAVEATXHPINFC-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.83
Rot. Bonds4

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

cyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone (PubChem CID 127251981) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is cyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone
PubChem CID127251981
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Namecyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone
SMILESCc1ccccc1Cc1ccc(C2CCCCN2C(=O)C2CCC2)cn1
InChIInChI=1S/C23H28N2O/c1-17-7-2-3-8-19(17)15-21-13-12-20(16-24-21)22-11-4-5-14-25(22)23(26)18-9-6-10-18/h2-3,7-8,12-13,16,18,22H,4-6,9-11,14-15H2,1H3
InChIKeyWPAVEATXHPINFC-UHFFFAOYSA-N
XLogP4.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methyl]-5-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyridine
CID 124960780
cyclopentyl-[(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 92616788
5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124942630
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
[2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110130702
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235
cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95818236
1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 110130776
4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 84528878
cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125019117
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
cyclohexyl-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
CID 125001958

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone (CID 127251981) is cyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone is Cc1ccccc1Cc1ccc(C2CCCCN2C(=O)C2CCC2)cn1.
What is the InChIKey of cyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is WPAVEATXHPINFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-17-7-2-3-8-19(17)15-21-13-12-20(16-24-21)22-11-4-5-14-25(22)23(26)18-9-6-10-18/h2-3,7-8,12-13,16,18,22H,4-6,9-11,14-15H2,1H3.
What are the key properties of cyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone?
cyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 348.49 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 127251981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).