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

C20H21NO2 — CID 2532732

IUPAC[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
SMILESC[C@H]1CCCCN1C(=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/t15-/m0/s1
InChIKeyRLKJQEZLORTTJE-HNNXBMFYSA-N
MW307.39 g/mol
LogP3.93
Rot. Bonds3

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

[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone (PubChem CID 2532732) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is [4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
PubChem CID2532732
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
SMILESC[C@H]1CCCCN1C(=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/t15-/m0/s1
InChIKeyRLKJQEZLORTTJE-HNNXBMFYSA-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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Related Compounds

(2-methylpiperidin-1-yl)-[4-(2-phenylethynyl)phenyl]methanone
CID 24640330
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone
CID 112811380
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
N-[3-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 2937708
[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 97023493
(2-hydroxypiperidin-1-yl)-phenylmethanone
CID 14920288
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366
N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18106374

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone (CID 2532732) is [4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone is C[C@H]1CCCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone?
The InChIKey is RLKJQEZLORTTJE-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of [4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone?
[4-[(2S)-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-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 2532732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).