(3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide

C15H21N3O2 — CID 81124526

IUPAC(3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C15H21N3O2/c1-16-14(19)9-11-5-2-3-7-13(11)18-15(20)12-6-4-8-17-10-12/h2-3,5,7,12,17H,4,6,8-10H2,1H3,(H,16,19)(H,18,20)/t12-/m0/s1
InChIKeyWKQWPCNRANAPAJ-LBPRGKRZSA-N
MW275.35 g/mol
LogP0.91
Rot. Bonds4

About (3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide

(3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide (PubChem CID 81124526) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
PubChem CID81124526
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C15H21N3O2/c1-16-14(19)9-11-5-2-3-7-13(11)18-15(20)12-6-4-8-17-10-12/h2-3,5,7,12,17H,4,6,8-10H2,1H3,(H,16,19)(H,18,20)/t12-/m0/s1
InChIKeyWKQWPCNRANAPAJ-LBPRGKRZSA-N
XLogP0.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-[2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 18071955
(2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 61179637
N-methyl-2-[2-(piperidin-3-ylmethylamino)phenyl]acetamide
CID 80553694
N-[2-(phenoxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119299182
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 63007076
N-(2-methylsulfonylphenyl)piperidine-3-carboxamide
CID 43709740
N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide
CID 119302550
N-(2-benzamidophenyl)piperidine-3-carboxamide;hydrochloride
CID 119282577
(3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 81118453

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide (CID 81124526) is (3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide is CNC(=O)Cc1ccccc1NC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide?
The InChIKey is WKQWPCNRANAPAJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-16-14(19)9-11-5-2-3-7-13(11)18-15(20)12-6-4-8-17-10-12/h2-3,5,7,12,17H,4,6,8-10H2,1H3,(H,16,19)(H,18,20)/t12-/m0/s1.
What are the key properties of (3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide?
(3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 81124526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).