5-[1-(3-nitrophenyl)butylamino]piperidin-2-one

C15H21N3O3 — CID 63663334

IUPAC5-[1-(3-nitrophenyl)butylamino]piperidin-2-one
SMILESCCCC(NC1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c1-2-4-14(17-12-7-8-15(19)16-10-12)11-5-3-6-13(9-11)18(20)21/h3,5-6,9,12,14,17H,2,4,7-8,10H2,1H3,(H,16,19)
InChIKeyURWVKBMRHJBSTL-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.30
Rot. Bonds6

About 5-[1-(3-nitrophenyl)butylamino]piperidin-2-one

5-[1-(3-nitrophenyl)butylamino]piperidin-2-one (PubChem CID 63663334) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[1-(3-nitrophenyl)butylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[1-(3-nitrophenyl)butylamino]piperidin-2-one
PubChem CID63663334
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-[1-(3-nitrophenyl)butylamino]piperidin-2-one
SMILESCCCC(NC1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c1-2-4-14(17-12-7-8-15(19)16-10-12)11-5-3-6-13(9-11)18(20)21/h3,5-6,9,12,14,17H,2,4,7-8,10H2,1H3,(H,16,19)
InChIKeyURWVKBMRHJBSTL-UHFFFAOYSA-N
XLogP2.30
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.30
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

N-[1-(3-nitrophenyl)butyl]cyclopropanamine
CID 43200341
N-[1-(3-nitrophenyl)butyl]oxolan-3-amine
CID 80717270
1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine
CID 61212967
2,2-dimethyl-N-[1-(3-nitrophenyl)butyl]cyclopentan-1-amine
CID 79865885
5-(1-phenylpropylamino)piperidin-2-one
CID 63661190
1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine
CID 61462195
1-(3-nitrophenyl)-N-(thian-4-ylmethyl)butan-1-amine
CID 115719931
N-(1,4-dithian-2-ylmethyl)-1-(3-nitrophenyl)butan-1-amine
CID 115727355
2,5-dimethyl-N-[1-(3-nitrophenyl)butyl]pyrrol-1-amine
CID 79107733
2-[1-(3-nitrophenyl)butylamino]ethanol
CID 43151078
4-(1-phenylpentylamino)pyrrolidin-2-one
CID 106183225
1-(3-nitrophenyl)-N-(pyridin-4-ylmethyl)butan-1-amine
CID 43204865

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-nitrophenyl)butylamino]piperidin-2-one?
The IUPAC name of 5-[1-(3-nitrophenyl)butylamino]piperidin-2-one (CID 63663334) is 5-[1-(3-nitrophenyl)butylamino]piperidin-2-one.
What is the SMILES notation for 5-[1-(3-nitrophenyl)butylamino]piperidin-2-one?
The canonical SMILES for 5-[1-(3-nitrophenyl)butylamino]piperidin-2-one is CCCC(NC1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-[1-(3-nitrophenyl)butylamino]piperidin-2-one?
The InChIKey is URWVKBMRHJBSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-4-14(17-12-7-8-15(19)16-10-12)11-5-3-6-13(9-11)18(20)21/h3,5-6,9,12,14,17H,2,4,7-8,10H2,1H3,(H,16,19).
What are the key properties of 5-[1-(3-nitrophenyl)butylamino]piperidin-2-one?
5-[1-(3-nitrophenyl)butylamino]piperidin-2-one has a molecular weight of 291.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-nitrophenyl)butylamino]piperidin-2-one is sourced from PubChem (CID 63663334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).