(3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide

C13H15N3O5 — CID 1121382

IUPAC(3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCNC1=O
InChIInChI=1S/C13H15N3O5/c1-21-11-5-4-8(16(19)20)7-10(11)15-13(18)9-3-2-6-14-12(9)17/h4-5,7,9H,2-3,6H2,1H3,(H,14,17)(H,15,18)/t9-/m0/s1
InChIKeyCYFYOBYYOJJASG-VIFPVBQESA-N
MW293.28 g/mol
LogP1.07
Rot. Bonds4

About (3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide

(3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide (PubChem CID 1121382) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is (3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide
PubChem CID1121382
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name(3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCNC1=O
InChIInChI=1S/C13H15N3O5/c1-21-11-5-4-8(16(19)20)7-10(11)15-13(18)9-3-2-6-14-12(9)17/h4-5,7,9H,2-3,6H2,1H3,(H,14,17)(H,15,18)/t9-/m0/s1
InChIKeyCYFYOBYYOJJASG-VIFPVBQESA-N
XLogP1.07
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
CID 807343
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
2-amino-N-(2-methoxy-5-nitrophenyl)cyclohexane-1-carboxamide
CID 64822909
(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
CID 99970147
N-(2-methoxy-5-nitrophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714092
1-cyclopentyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081334
1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 71944436
3-[(2-methoxy-5-nitrophenyl)methyl]piperidin-2-one
CID 104679100
4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide
CID 61214015
N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 63007363
N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152327
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide (CID 1121382) is (3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCNC1=O.
What is the InChIKey of (3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide?
The InChIKey is CYFYOBYYOJJASG-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15N3O5/c1-21-11-5-4-8(16(19)20)7-10(11)15-13(18)9-3-2-6-14-12(9)17/h4-5,7,9H,2-3,6H2,1H3,(H,14,17)(H,15,18)/t9-/m0/s1.
What are the key properties of (3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide?
(3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide has a molecular weight of 293.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 1121382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).