(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide

C16H23N3O2 — CID 103808067

IUPAC(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCCN2)cc1
InChIInChI=1S/C16H23N3O2/c1-11(2)15(20)18-12-6-8-13(9-7-12)19-16(21)14-5-3-4-10-17-14/h6-9,11,14,17H,3-5,10H2,1-2H3,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyBQLCHMOEEQXZOZ-AWEZNQCLSA-N
MW289.38 g/mol
LogP2.36
Rot. Bonds4

About (2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide

(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide (PubChem CID 103808067) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
PubChem CID103808067
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCCN2)cc1
InChIInChI=1S/C16H23N3O2/c1-11(2)15(20)18-12-6-8-13(9-7-12)19-16(21)14-5-3-4-10-17-14/h6-9,11,14,17H,3-5,10H2,1-2H3,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyBQLCHMOEEQXZOZ-AWEZNQCLSA-N
XLogP2.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 43710007
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119281759
N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide
CID 119279232
(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119701212
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide
CID 119703600
(2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119703628
(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740054
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide (CID 103808067) is (2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide is CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCCN2)cc1.
What is the InChIKey of (2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide?
The InChIKey is BQLCHMOEEQXZOZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)15(20)18-12-6-8-13(9-7-12)19-16(21)14-5-3-4-10-17-14/h6-9,11,14,17H,3-5,10H2,1-2H3,(H,18,20)(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide?
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 103808067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).