(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

C15H21N3O2 — CID 120632144

IUPAC(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C15H21N3O2/c1-10-9-12(7-8-17-10)15(20)18-13-5-3-11(4-6-13)14(19)16-2/h3-6,10,12,17H,7-9H2,1-2H3,(H,16,19)(H,18,20)/t10-,12-/m0/s1
InChIKeyKTFZMFLGGPZUIM-JQWIXIFHSA-N
MW275.35 g/mol
LogP1.37
Rot. Bonds3

About (2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 120632144) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID120632144
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C15H21N3O2/c1-10-9-12(7-8-17-10)15(20)18-13-5-3-11(4-6-13)14(19)16-2/h3-6,10,12,17H,7-9H2,1-2H3,(H,16,19)(H,18,20)/t10-,12-/m0/s1
InChIKeyKTFZMFLGGPZUIM-JQWIXIFHSA-N
XLogP1.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120619355
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
CID 106738623
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
4-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 114422983
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120620603
(2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 120631270
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 120632144) is (2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide is CNC(=O)c1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1.
What is the InChIKey of (2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is KTFZMFLGGPZUIM-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-9-12(7-8-17-10)15(20)18-13-5-3-11(4-6-13)14(19)16-2/h3-6,10,12,17H,7-9H2,1-2H3,(H,16,19)(H,18,20)/t10-,12-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120632144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).