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

C12H14ClN3O3 — CID 82864995

IUPACN-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCNC1
InChIInChI=1S/C12H14ClN3O3/c13-10-6-9(3-4-11(10)16(18)19)15-12(17)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2,(H,15,17)
InChIKeyMQSDCJLUSSDQCB-UHFFFAOYSA-N
MW283.72 g/mol
LogP2.19
Rot. Bonds3

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

N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide (PubChem CID 82864995) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.72 g/mol. Its IUPAC name is N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide
PubChem CID82864995
Molecular FormulaC12H14ClN3O3
Molecular Weight283.72 g/mol
Exact Mass283.07
IUPAC NameN-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCNC1
InChIInChI=1S/C12H14ClN3O3/c13-10-6-9(3-4-11(10)16(18)19)15-12(17)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2,(H,15,17)
InChIKeyMQSDCJLUSSDQCB-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
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

(3S)-N-(4-ethyl-3-nitrophenyl)piperidine-3-carboxamide
CID 81124426
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide
CID 82864265
(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
CID 107680359
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43712007
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
(3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide
CID 81124120
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119300196
N-(1H-indol-5-yl)piperidine-3-carboxamide
CID 61248015
N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide
CID 4114738

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide (CID 82864995) is N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCNC1.
What is the InChIKey of N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide?
The InChIKey is MQSDCJLUSSDQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-10-6-9(3-4-11(10)16(18)19)15-12(17)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2,(H,15,17).
What are the key properties of N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide?
N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide has a molecular weight of 283.72 g/mol, XLogP of 2.19, 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-3-carboxamide is sourced from PubChem (CID 82864995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).