N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide

C16H23N3O2 — CID 43710007

IUPACN-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C2CCCCN2)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)15(20)18-12-6-5-7-13(10-12)19-16(21)14-8-3-4-9-17-14/h5-7,10-11,14,17H,3-4,8-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyJVNRXGJSIPDCPA-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.36
Rot. Bonds4

About N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide

N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide (PubChem CID 43710007) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
PubChem CID43710007
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C2CCCCN2)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)15(20)18-12-6-5-7-13(10-12)19-16(21)14-8-3-4-9-17-14/h5-7,10-11,14,17H,3-4,8-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyJVNRXGJSIPDCPA-UHFFFAOYSA-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;hydrochloride
CID 119281759
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
(2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride
CID 119883129
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
(2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103809348
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
CID 124509646
N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 82044662
N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262082

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide (CID 43710007) is N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide is CC(C)C(=O)Nc1cccc(NC(=O)C2CCCCN2)c1.
What is the InChIKey of N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide?
The InChIKey is JVNRXGJSIPDCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)15(20)18-12-6-5-7-13(10-12)19-16(21)14-8-3-4-9-17-14/h5-7,10-11,14,17H,3-4,8-9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide?
N-[3-(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 N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 43710007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).