1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide

C13H16N4O — CID 104711327

IUPAC1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide
SMILESN#Cc1ccc(N)c(N2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C13H16N4O/c14-7-9-3-4-11(15)12(6-9)17-5-1-2-10(8-17)13(16)18/h3-4,6,10H,1-2,5,8,15H2,(H2,16,18)
InChIKeyYMTSUYMQFBQCRT-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.84
Rot. Bonds2

About 1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide

1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide (PubChem CID 104711327) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide
PubChem CID104711327
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide
SMILESN#Cc1ccc(N)c(N2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C13H16N4O/c14-7-9-3-4-11(15)12(6-9)17-5-1-2-10(8-17)13(16)18/h3-4,6,10H,1-2,5,8,15H2,(H2,16,18)
InChIKeyYMTSUYMQFBQCRT-UHFFFAOYSA-N
XLogP0.84
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-bromophenyl)piperidine-3-carboxamide
CID 65341597
4-amino-3-(3-ethylpiperidin-1-yl)benzonitrile
CID 113444119
1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide
CID 107926802
(3R)-1-[4-cyano-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 96506055
3-amino-4-(3-carbamoylpiperidin-1-yl)benzoic acid
CID 54888911
4-amino-3-(4-hydroxypiperidin-1-yl)benzonitrile
CID 104711326
1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide
CID 107275706
1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide
CID 43123574
1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 16784735
1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide
CID 66077177
1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide
CID 43083193
1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide
CID 172899347

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide (CID 104711327) is 1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide is N#Cc1ccc(N)c(N2CCCC(C(N)=O)C2)c1.
What is the InChIKey of 1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide?
The InChIKey is YMTSUYMQFBQCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-7-9-3-4-11(15)12(6-9)17-5-1-2-10(8-17)13(16)18/h3-4,6,10H,1-2,5,8,15H2,(H2,16,18).
What are the key properties of 1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide?
1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 104711327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).