4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide

C13H14N4O3 — CID 60971014

IUPAC4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C13H14N4O3/c14-9-10-4-6-16(7-5-10)13(18)15-11-2-1-3-12(8-11)17(19)20/h1-3,8,10H,4-7H2,(H,15,18)
InChIKeyZZAKKIQXAVJJPJ-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.36
Rot. Bonds2

About 4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide

4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide (PubChem CID 60971014) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide
PubChem CID60971014
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C13H14N4O3/c14-9-10-4-6-16(7-5-10)13(18)15-11-2-1-3-12(8-11)17(19)20/h1-3,8,10H,4-7H2,(H,15,18)
InChIKeyZZAKKIQXAVJJPJ-UHFFFAOYSA-N
XLogP2.36
TPSA99.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(3-nitrophenyl)morpholine-4-carboxamide
CID 78946196
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 27869268
4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 51133275
4-(2-methylphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 31771873
N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide
CID 60969957
2-[1-[(3-nitrophenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681624
3-methyl-1-[(3-nitrophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145879
N-(3-nitrophenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide
CID 7470040
2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide
CID 79831809
(2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 29286120
(2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide
CID 32840083

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide (CID 60971014) is 4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide is N#CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide?
The InChIKey is ZZAKKIQXAVJJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-9-10-4-6-16(7-5-10)13(18)15-11-2-1-3-12(8-11)17(19)20/h1-3,8,10H,4-7H2,(H,15,18).
What are the key properties of 4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide?
4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 60971014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).