(2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide

C12H14ClN3O3 — CID 104913032

IUPAC(2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCCN1
InChIInChI=1S/C12H14ClN3O3/c13-9-5-4-8(16(18)19)7-11(9)15-12(17)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2,(H,15,17)/t10-/m1/s1
InChIKeyUSVRRCWAKZUNPO-SNVBAGLBSA-N
MW283.71 g/mol
LogP2.33
Rot. Bonds3

About (2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide

(2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide (PubChem CID 104913032) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is (2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide
PubChem CID104913032
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC Name(2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCCN1
InChIInChI=1S/C12H14ClN3O3/c13-9-5-4-8(16(18)19)7-11(9)15-12(17)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2,(H,15,17)/t10-/m1/s1
InChIKeyUSVRRCWAKZUNPO-SNVBAGLBSA-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 ≤ 500283.71
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'}

Analyze (2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2-chloro-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 61180184
N-(2-hydroxy-5-nitrophenyl)azepane-2-carboxamide
CID 107744864
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
(2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide
CID 104913764
N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide
CID 43708505
N-(2-chloro-5-nitrophenyl)thiomorpholine-3-carboxamide
CID 82909107
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
CID 103808460
(2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 104912877
N-(5-carbamoyl-2-chlorophenyl)piperidine-2-carboxamide
CID 43701566
N-(5-chloro-2-nitrophenyl)azepane-2-carboxamide
CID 64563599
N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide
CID 64563989
N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide
CID 82864265

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide (CID 104913032) is (2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide?
The InChIKey is USVRRCWAKZUNPO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-9-5-4-8(16(18)19)7-11(9)15-12(17)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2,(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide?
(2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide has a molecular weight of 283.71 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 (2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 104913032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).