1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide

C13H16N4O — CID 54985357

IUPAC1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide
SMILESN#Cc1cc(N)ccc1N1CCCCC1C(N)=O
InChIInChI=1S/C13H16N4O/c14-8-9-7-10(15)4-5-11(9)17-6-2-1-3-12(17)13(16)18/h4-5,7,12H,1-3,6,15H2,(H2,16,18)
InChIKeyLQSNNVQEDZCOMD-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.98
Rot. Bonds2

About 1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide

1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide (PubChem CID 54985357) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide
PubChem CID54985357
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide
SMILESN#Cc1cc(N)ccc1N1CCCCC1C(N)=O
InChIInChI=1S/C13H16N4O/c14-8-9-7-10(15)4-5-11(9)17-6-2-1-3-12(17)13(16)18/h4-5,7,12H,1-3,6,15H2,(H2,16,18)
InChIKeyLQSNNVQEDZCOMD-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide (CID 54985357) is 1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide is N#Cc1cc(N)ccc1N1CCCCC1C(N)=O.
What is the InChIKey of 1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide?
The InChIKey is LQSNNVQEDZCOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-8-9-7-10(15)4-5-11(9)17-6-2-1-3-12(17)13(16)18/h4-5,7,12H,1-3,6,15H2,(H2,16,18).
What are the key properties of 1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide?
1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 54985357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).