[4-(2-methylpiperidine-1-carbonyl)phenyl]-phenylmethanone

C20H21NO2 — CID 4884717

IUPAC[4-(2-methylpiperidine-1-carbonyl)phenyl]-phenylmethanone
SMILESCC1CCCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H21NO2/c1-15-7-5-6-14-21(15)20(23)18-12-10-17(11-13-18)19(22)16-8-3-2-4-9-16/h2-4,8-13,15H,5-7,14H2,1H3
InChIKeyRLKJQEZLORTTJE-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.93
Rot. Bonds3

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

[4-(2-methylpiperidine-1-carbonyl)phenyl]-phenylmethanone (PubChem CID 4884717) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is [4-(2-methylpiperidine-1-carbonyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-methylpiperidine-1-carbonyl)phenyl]-phenylmethanone
PubChem CID4884717
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name[4-(2-methylpiperidine-1-carbonyl)phenyl]-phenylmethanone
SMILESCC1CCCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H21NO2/c1-15-7-5-6-14-21(15)20(23)18-12-10-17(11-13-18)19(22)16-8-3-2-4-9-16/h2-4,8-13,15H,5-7,14H2,1H3
InChIKeyRLKJQEZLORTTJE-UHFFFAOYSA-N
XLogP3.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpiperidine-1-carbonyl)phenyl]-phenylmethanone?
The IUPAC name of [4-(2-methylpiperidine-1-carbonyl)phenyl]-phenylmethanone (CID 4884717) is [4-(2-methylpiperidine-1-carbonyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(2-methylpiperidine-1-carbonyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(2-methylpiperidine-1-carbonyl)phenyl]-phenylmethanone is CC1CCCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(2-methylpiperidine-1-carbonyl)phenyl]-phenylmethanone?
The InChIKey is RLKJQEZLORTTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-15-7-5-6-14-21(15)20(23)18-12-10-17(11-13-18)19(22)16-8-3-2-4-9-16/h2-4,8-13,15H,5-7,14H2,1H3.
What are the key properties of [4-(2-methylpiperidine-1-carbonyl)phenyl]-phenylmethanone?
[4-(2-methylpiperidine-1-carbonyl)phenyl]-phenylmethanone has a molecular weight of 307.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpiperidine-1-carbonyl)phenyl]-phenylmethanone is sourced from PubChem (CID 4884717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).