1-(2-bromobutanoyl)piperidine-2-carboxamide

C10H17BrN2O2 — CID 62854478

IUPAC1-(2-bromobutanoyl)piperidine-2-carboxamide
SMILESCCC(Br)C(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C10H17BrN2O2/c1-2-7(11)10(15)13-6-4-3-5-8(13)9(12)14/h7-8H,2-6H2,1H3,(H2,12,14)
InChIKeyMGTKXGSHUHUMOQ-UHFFFAOYSA-N
MW277.16 g/mol
LogP1.03
Rot. Bonds3

About 1-(2-bromobutanoyl)piperidine-2-carboxamide

1-(2-bromobutanoyl)piperidine-2-carboxamide (PubChem CID 62854478) has the molecular formula C10H17BrN2O2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-(2-bromobutanoyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-bromobutanoyl)piperidine-2-carboxamide
PubChem CID62854478
Molecular FormulaC10H17BrN2O2
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC Name1-(2-bromobutanoyl)piperidine-2-carboxamide
SMILESCCC(Br)C(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C10H17BrN2O2/c1-2-7(11)10(15)13-6-4-3-5-8(13)9(12)14/h7-8H,2-6H2,1H3,(H2,12,14)
InChIKeyMGTKXGSHUHUMOQ-UHFFFAOYSA-N
XLogP1.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
methyl 1-(2-bromobutanoyl)pyrrolidine-2-carboxylate
CID 62855013
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
1-(3-amino-2-methoxypropanoyl)piperidine-2-carboxamide
CID 106111923
1-propanoylpiperidine-2-carboxamide
CID 60717244
3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897445
1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide
CID 107026089
1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
CID 76894481
ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116537911
2-bromo-1-(2,3-dimethylpiperidin-1-yl)butan-1-one
CID 62856002
1-N,1-N-diethylpiperidine-1,2-dicarboxamide
CID 115583146
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-bromobutan-1-one
CID 65319513

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromobutanoyl)piperidine-2-carboxamide?
The IUPAC name of 1-(2-bromobutanoyl)piperidine-2-carboxamide (CID 62854478) is 1-(2-bromobutanoyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-bromobutanoyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(2-bromobutanoyl)piperidine-2-carboxamide is CCC(Br)C(=O)N1CCCCC1C(N)=O.
What is the InChIKey of 1-(2-bromobutanoyl)piperidine-2-carboxamide?
The InChIKey is MGTKXGSHUHUMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2/c1-2-7(11)10(15)13-6-4-3-5-8(13)9(12)14/h7-8H,2-6H2,1H3,(H2,12,14).
What are the key properties of 1-(2-bromobutanoyl)piperidine-2-carboxamide?
1-(2-bromobutanoyl)piperidine-2-carboxamide has a molecular weight of 277.16 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromobutanoyl)piperidine-2-carboxamide is sourced from PubChem (CID 62854478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).