(2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide

C15H21N3O2 — CID 103809357

IUPAC(2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C15H21N3O2/c1-18(15(20)13-9-5-6-10-16-13)11-14(19)17-12-7-3-2-4-8-12/h2-4,7-8,13,16H,5-6,9-11H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyQQUUFQFCQGROEK-ZDUSSCGKSA-N
MW275.35 g/mol
LogP1.23
Rot. Bonds4

About (2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide

(2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide (PubChem CID 103809357) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide
PubChem CID103809357
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C15H21N3O2/c1-18(15(20)13-9-5-6-10-16-13)11-14(19)17-12-7-3-2-4-8-12/h2-4,7-8,13,16H,5-6,9-11H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyQQUUFQFCQGROEK-ZDUSSCGKSA-N
XLogP1.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide
CID 61165460
N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide
CID 82908719
N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 54871505
N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119294184
N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119331213
N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79389093
N-(2-anilino-2-oxoethyl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364850
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119275400
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide
CID 64561893
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide
CID 64562456
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide (CID 103809357) is (2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is QQUUFQFCQGROEK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(15(20)13-9-5-6-10-16-13)11-14(19)17-12-7-3-2-4-8-12/h2-4,7-8,13,16H,5-6,9-11H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide?
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 103809357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).