(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide

C14H20N2O — CID 113266153

IUPAC(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(N(C)C(=O)[C@@H]2CCCCN2)cc1
InChIInChI=1S/C14H20N2O/c1-11-6-8-12(9-7-11)16(2)14(17)13-5-3-4-10-15-13/h6-9,13,15H,3-5,10H2,1-2H3/t13-/m0/s1
InChIKeyMRJLJHGFGFOBNW-ZDUSSCGKSA-N
MW232.33 g/mol
LogP2.10
Rot. Bonds2

About (2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide

(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide (PubChem CID 113266153) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide
PubChem CID113266153
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(N(C)C(=O)[C@@H]2CCCCN2)cc1
InChIInChI=1S/C14H20N2O/c1-11-6-8-12(9-7-11)16(2)14(17)13-5-3-4-10-15-13/h6-9,13,15H,3-5,10H2,1-2H3/t13-/m0/s1
InChIKeyMRJLJHGFGFOBNW-ZDUSSCGKSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103809324
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
N-(4-cyclopropylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 175979802
N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide
CID 115159731
2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid
CID 104913597
(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881
(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 103794860
(2R)-N-(3-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103808642
N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide
CID 115159200
N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
CID 142999335
N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide
CID 115159736
N,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79388643

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide (CID 113266153) is (2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide is Cc1ccc(N(C)C(=O)[C@@H]2CCCCN2)cc1.
What is the InChIKey of (2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide?
The InChIKey is MRJLJHGFGFOBNW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-6-8-12(9-7-11)16(2)14(17)13-5-3-4-10-15-13/h6-9,13,15H,3-5,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide?
(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 113266153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).