N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide

C16H24N4O2 — CID 119279232

IUPACN-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
InChIInChI=1S/C16H24N4O2/c1-11(2)18-16(22)20-13-8-6-12(7-9-13)19-15(21)14-5-3-4-10-17-14/h6-9,11,14,17H,3-5,10H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyOAUJURGKJHMETC-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.30
Rot. Bonds4

About N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide

N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide (PubChem CID 119279232) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide
PubChem CID119279232
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
InChIInChI=1S/C16H24N4O2/c1-11(2)18-16(22)20-13-8-6-12(7-9-13)19-15(21)14-5-3-4-10-17-14/h6-9,11,14,17H,3-5,10H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyOAUJURGKJHMETC-UHFFFAOYSA-N
XLogP2.30
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740054
(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
(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
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide
CID 119288580
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
(2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide
CID 103813229

Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide (CID 119279232) is N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide is CC(C)NC(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1.
What is the InChIKey of N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide?
The InChIKey is OAUJURGKJHMETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(2)18-16(22)20-13-8-6-12(7-9-13)19-15(21)14-5-3-4-10-17-14/h6-9,11,14,17H,3-5,10H2,1-2H3,(H,19,21)(H2,18,20,22).
What are the key properties of N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide?
N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119279232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).