(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide

C14H19N3O4 — CID 99970147

IUPAC(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C)C1
InChIInChI=1S/C14H19N3O4/c1-16-7-3-4-10(9-16)14(18)15-12-8-11(17(19)20)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,18)/t10-/m1/s1
InChIKeyGFIHNPHYBKEKBI-SNVBAGLBSA-N
MW293.32 g/mol
LogP1.88
Rot. Bonds4

About (3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide

(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide (PubChem CID 99970147) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
PubChem CID99970147
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C)C1
InChIInChI=1S/C14H19N3O4/c1-16-7-3-4-10(9-16)14(18)15-12-8-11(17(19)20)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,18)/t10-/m1/s1
InChIKeyGFIHNPHYBKEKBI-SNVBAGLBSA-N
XLogP1.88
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 99970167
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118520
N-(2-methoxy-5-nitrophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923801
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407
N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 19583470
2-amino-N-(2-methoxy-5-nitrophenyl)cyclohexane-1-carboxamide
CID 64822909
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide
CID 108789867
N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152327
1-cyclopentyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081334
(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 96595344

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide (CID 99970147) is (3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C)C1.
What is the InChIKey of (3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide?
The InChIKey is GFIHNPHYBKEKBI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-16-7-3-4-10(9-16)14(18)15-12-8-11(17(19)20)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,18)/t10-/m1/s1.
What are the key properties of (3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide?
(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 99970147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).