(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone

C21H23NO2 — CID 112811380

IUPAC(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N2CCCCC2C)cc1
InChIInChI=1S/C21H23NO2/c1-15-10-12-17(13-11-15)20(23)18-8-3-4-9-19(18)21(24)22-14-6-5-7-16(22)2/h3-4,8-13,16H,5-7,14H2,1-2H3
InChIKeyYDMWKCBZRBWHBR-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.24
Rot. Bonds3

About (4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone

(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone (PubChem CID 112811380) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone
PubChem CID112811380
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N2CCCCC2C)cc1
InChIInChI=1S/C21H23NO2/c1-15-10-12-17(13-11-15)20(23)18-8-3-4-9-19(18)21(24)22-14-6-5-7-16(22)2/h3-4,8-13,16H,5-7,14H2,1-2H3
InChIKeyYDMWKCBZRBWHBR-UHFFFAOYSA-N
XLogP4.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
[2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119561443
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
[1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94861219
[2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 168525088
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 593303
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
(2-methylpiperidin-1-yl)-[4-(2-phenylethynyl)phenyl]methanone
CID 24640330
8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16772270

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone?
The IUPAC name of (4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone (CID 112811380) is (4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone.
What is the SMILES notation for (4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone?
The canonical SMILES for (4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone is Cc1ccc(C(=O)c2ccccc2C(=O)N2CCCCC2C)cc1.
What is the InChIKey of (4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone?
The InChIKey is YDMWKCBZRBWHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-15-10-12-17(13-11-15)20(23)18-8-3-4-9-19(18)21(24)22-14-6-5-7-16(22)2/h3-4,8-13,16H,5-7,14H2,1-2H3.
What are the key properties of (4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone?
(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone has a molecular weight of 321.42 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone is sourced from PubChem (CID 112811380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).