2-bromo-N-(2-oxopiperidin-3-yl)butanamide

C9H15BrN2O2 — CID 62856171

IUPAC2-bromo-N-(2-oxopiperidin-3-yl)butanamide
SMILESCCC(Br)C(=O)NC1CCCNC1=O
InChIInChI=1S/C9H15BrN2O2/c1-2-6(10)8(13)12-7-4-3-5-11-9(7)14/h6-7H,2-5H2,1H3,(H,11,14)(H,12,13)
InChIKeyPGILFDDGYRQZAM-UHFFFAOYSA-N
MW263.13 g/mol
LogP0.55
Rot. Bonds3

About 2-bromo-N-(2-oxopiperidin-3-yl)butanamide

2-bromo-N-(2-oxopiperidin-3-yl)butanamide (PubChem CID 62856171) has the molecular formula C9H15BrN2O2 and a molecular weight of 263.13 g/mol. Its IUPAC name is 2-bromo-N-(2-oxopiperidin-3-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(2-oxopiperidin-3-yl)butanamide
PubChem CID62856171
Molecular FormulaC9H15BrN2O2
Molecular Weight263.13 g/mol
Exact Mass262.03
IUPAC Name2-bromo-N-(2-oxopiperidin-3-yl)butanamide
SMILESCCC(Br)C(=O)NC1CCCNC1=O
InChIInChI=1S/C9H15BrN2O2/c1-2-6(10)8(13)12-7-4-3-5-11-9(7)14/h6-7H,2-5H2,1H3,(H,11,14)(H,12,13)
InChIKeyPGILFDDGYRQZAM-UHFFFAOYSA-N
XLogP0.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(2-oxopiperidin-3-yl)butanamide
CID 47478755
(2S)-2-hydroxy-N-(2-oxopiperidin-3-yl)propanamide
CID 130978731
2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid
CID 114897426
2-(methylamino)-N-(2-oxopiperidin-3-yl)propanamide
CID 62637894
(2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
CID 11379810
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 62094367
(2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide
CID 107568483
(2R)-2-amino-N-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 164662315
(2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 94646376
4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide
CID 55176788
3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 134570387

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-oxopiperidin-3-yl)butanamide?
The IUPAC name of 2-bromo-N-(2-oxopiperidin-3-yl)butanamide (CID 62856171) is 2-bromo-N-(2-oxopiperidin-3-yl)butanamide.
What is the SMILES notation for 2-bromo-N-(2-oxopiperidin-3-yl)butanamide?
The canonical SMILES for 2-bromo-N-(2-oxopiperidin-3-yl)butanamide is CCC(Br)C(=O)NC1CCCNC1=O.
What is the InChIKey of 2-bromo-N-(2-oxopiperidin-3-yl)butanamide?
The InChIKey is PGILFDDGYRQZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2/c1-2-6(10)8(13)12-7-4-3-5-11-9(7)14/h6-7H,2-5H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2-bromo-N-(2-oxopiperidin-3-yl)butanamide?
2-bromo-N-(2-oxopiperidin-3-yl)butanamide has a molecular weight of 263.13 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-oxopiperidin-3-yl)butanamide is sourced from PubChem (CID 62856171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).