N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide

C12H14ClN3O3 — CID 82864265

IUPACN-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCN1
InChIInChI=1S/C12H14ClN3O3/c13-9-7-8(4-5-11(9)16(18)19)15-12(17)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2,(H,15,17)
InChIKeyOSTKXMCQLXDORX-UHFFFAOYSA-N
MW283.72 g/mol
LogP2.33
Rot. Bonds3

About N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide

N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide (PubChem CID 82864265) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.72 g/mol. Its IUPAC name is N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide
PubChem CID82864265
Molecular FormulaC12H14ClN3O3
Molecular Weight283.72 g/mol
Exact Mass283.07
IUPAC NameN-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCN1
InChIInChI=1S/C12H14ClN3O3/c13-9-7-8(4-5-11(9)16(18)19)15-12(17)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2,(H,15,17)
InChIKeyOSTKXMCQLXDORX-UHFFFAOYSA-N
XLogP2.33
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 52.33
H-Bond Donors ≤ 52
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

N-(3-chloro-4-nitrophenyl)thiomorpholine-3-carboxamide
CID 82916003
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
N-(5-chloro-2-nitrophenyl)azepane-2-carboxamide
CID 64563599
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 82865738
(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide
CID 103808831
N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide
CID 82864995
N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43711061
(2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide
CID 104913032
N-(3-chloro-4-nitrophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 82864769

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide (CID 82864265) is N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCN1.
What is the InChIKey of N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide?
The InChIKey is OSTKXMCQLXDORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-9-7-8(4-5-11(9)16(18)19)15-12(17)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2,(H,15,17).
What are the key properties of N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide?
N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide has a molecular weight of 283.72 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 82864265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).