1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide

C12H14ClN3O3 — CID 3890485

IUPAC1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H14ClN3O3/c13-9-1-2-10(16(18)19)11(7-9)15-5-3-8(4-6-15)12(14)17/h1-2,7-8H,3-6H2,(H2,14,17)
InChIKeyYEFPNISJBUARTG-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.95
Rot. Bonds3

About 1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide

1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 3890485) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is 1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide
PubChem CID3890485
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC Name1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H14ClN3O3/c13-9-1-2-10(16(18)19)11(7-9)15-5-3-8(4-6-15)12(14)17/h1-2,7-8H,3-6H2,(H2,14,17)
InChIKeyYEFPNISJBUARTG-UHFFFAOYSA-N
XLogP1.95
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.95
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

1-(4-chloro-2-nitrophenyl)piperidine-4-carboxylic acid
CID 19624576
1-[1-(5-chloro-2-nitrophenyl)azetidin-3-yl]ethanone
CID 90327098
1-(5-amino-2-nitrophenyl)piperidine-4-carboxylic acid
CID 120963881
tert-butyl N-[1-(5-chloro-2-nitrophenyl)piperidin-4-yl]carbamate
CID 100611829
1-(5-chloro-2-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 113315902
1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697954
1-(3-nitro-4-pyrrolidin-1-ylbenzoyl)piperidine-4-carboxamide
CID 4845441
(3-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 7835650
1-[4-[(4-methylphenyl)sulfonylamino]-2-nitrophenyl]piperidine-4-carboxamide
CID 169371095
1-[1-(5-chloro-2-nitrophenyl)piperidin-4-yl]benzimidazol-2-amine
CID 67994264
1-[4-(2,3-dihydroxypropylamino)-2-nitrophenyl]piperidine-4-carboxamide
CID 168596836
1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine
CID 103577570

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide (CID 3890485) is 1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide is NC(=O)C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is YEFPNISJBUARTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-9-1-2-10(16(18)19)11(7-9)15-5-3-8(4-6-15)12(14)17/h1-2,7-8H,3-6H2,(H2,14,17).
What are the key properties of 1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide?
1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 283.71 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 3890485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).