2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide

C14H18N4O4 — CID 11449614

IUPAC2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
SMILESNC1CCCN(CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C14H18N4O4/c15-12-2-1-7-17(14(12)20)9-13(19)16-8-10-3-5-11(6-4-10)18(21)22/h3-6,12H,1-2,7-9,15H2,(H,16,19)
InChIKeyKFOMASMURGSIBN-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.16
Rot. Bonds5

About 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide

2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide (PubChem CID 11449614) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
PubChem CID11449614
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
SMILESNC1CCCN(CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C14H18N4O4/c15-12-2-1-7-17(14(12)20)9-13(19)16-8-10-3-5-11(6-4-10)18(21)22/h3-6,12H,1-2,7-9,15H2,(H,16,19)
InChIKeyKFOMASMURGSIBN-UHFFFAOYSA-N
XLogP0.16
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
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

tert-butyl N-[1-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate
CID 11281209
2-cyclopentyl-N-[(4-nitrophenyl)methyl]acetamide
CID 47312023
(2R)-1-[(4-nitrophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923280
N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide
CID 61062523
N,N'-bis[1-[(4-nitrophenyl)methyl]-2-oxopiperidin-3-yl]hexanediamide
CID 11786804
3-amino-N-[(4-nitrophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119708431
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 36527467
2-[(4-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 43399991
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide
CID 43594379
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 55530375
N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9325430
4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 32627467

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide (CID 11449614) is 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide is NC1CCCN(CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide?
The InChIKey is KFOMASMURGSIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c15-12-2-1-7-17(14(12)20)9-13(19)16-8-10-3-5-11(6-4-10)18(21)22/h3-6,12H,1-2,7-9,15H2,(H,16,19).
What are the key properties of 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide?
2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide has a molecular weight of 306.32 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 11449614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).