1-(3-bromopropyl)piperidine-3-carboxamide

C9H17BrN2O — CID 61287309

IUPAC1-(3-bromopropyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCCBr)C1
InChIInChI=1S/C9H17BrN2O/c10-4-2-6-12-5-1-3-8(7-12)9(11)13/h8H,1-7H2,(H2,11,13)
InChIKeyOAQMOUUZBOZEET-UHFFFAOYSA-N
MW249.15 g/mol
LogP0.97
Rot. Bonds4

About 1-(3-bromopropyl)piperidine-3-carboxamide

1-(3-bromopropyl)piperidine-3-carboxamide (PubChem CID 61287309) has the molecular formula C9H17BrN2O and a molecular weight of 249.15 g/mol. Its IUPAC name is 1-(3-bromopropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromopropyl)piperidine-3-carboxamide
PubChem CID61287309
Molecular FormulaC9H17BrN2O
Molecular Weight249.15 g/mol
Exact Mass248.05
IUPAC Name1-(3-bromopropyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCCBr)C1
InChIInChI=1S/C9H17BrN2O/c10-4-2-6-12-5-1-3-8(7-12)9(11)13/h8H,1-7H2,(H2,11,13)
InChIKeyOAQMOUUZBOZEET-UHFFFAOYSA-N
XLogP0.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 50.97
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

(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
1-(2-chloroethyl)piperidine-3-carboxamide
CID 61287310
1-[6-(hydroxyamino)-6-oxohexyl]piperidine-3-carboxamide
CID 175801868
1-(6-amino-5,5-dimethylhexyl)piperidine-3-carboxamide
CID 106707851
1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42950662
(3R)-1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 58877777
1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 21060232
(3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide
CID 100840842
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide
CID 99785633
N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide
CID 77041359

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-bromopropyl)piperidine-3-carboxamide (CID 61287309) is 1-(3-bromopropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromopropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-bromopropyl)piperidine-3-carboxamide is NC(=O)C1CCCN(CCCBr)C1.
What is the InChIKey of 1-(3-bromopropyl)piperidine-3-carboxamide?
The InChIKey is OAQMOUUZBOZEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN2O/c10-4-2-6-12-5-1-3-8(7-12)9(11)13/h8H,1-7H2,(H2,11,13).
What are the key properties of 1-(3-bromopropyl)piperidine-3-carboxamide?
1-(3-bromopropyl)piperidine-3-carboxamide has a molecular weight of 249.15 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)piperidine-3-carboxamide is sourced from PubChem (CID 61287309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).