(2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

C17H26N2O — CID 120636707

IUPAC(2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(N(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C17H26N2O/c1-12(2)14-5-7-16(8-6-14)19(4)17(20)15-9-10-18-13(3)11-15/h5-8,12-13,15,18H,9-11H2,1-4H3/t13-,15-/m0/s1
InChIKeyGMZNADVAWDMESR-ZFWWWQNUSA-N
MW274.41 g/mol
LogP3.16
Rot. Bonds3

About (2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

(2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 120636707) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID120636707
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(N(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C17H26N2O/c1-12(2)14-5-7-16(8-6-14)19(4)17(20)15-9-10-18-13(3)11-15/h5-8,12-13,15,18H,9-11H2,1-4H3/t13-,15-/m0/s1
InChIKeyGMZNADVAWDMESR-ZFWWWQNUSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 106739900
N-(4-hydroxyphenyl)-N,2-dimethylpiperidine-4-carboxamide
CID 107734439
N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119337319
(2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120625268
3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550889
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977341
(2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120637228
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
(2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide
CID 120637188
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
(2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120621637
N-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide
CID 115177573

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (CID 120636707) is (2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is CC(C)c1ccc(N(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1.
What is the InChIKey of (2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is GMZNADVAWDMESR-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)14-5-7-16(8-6-14)19(4)17(20)15-9-10-18-13(3)11-15/h5-8,12-13,15,18H,9-11H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of (2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
(2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 120636707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).