1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide

C12H21BrN2O2 — CID 107909408

IUPAC1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)CCCCBr
InChIInChI=1S/C12H21BrN2O2/c1-14-12(17)10-6-3-5-9-15(10)11(16)7-2-4-8-13/h10H,2-9H2,1H3,(H,14,17)
InChIKeyINPZHMDRFYKQGQ-UHFFFAOYSA-N
MW305.22 g/mol
LogP1.68
Rot. Bonds5

About 1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide

1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide (PubChem CID 107909408) has the molecular formula C12H21BrN2O2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide
PubChem CID107909408
Molecular FormulaC12H21BrN2O2
Molecular Weight305.22 g/mol
Exact Mass304.08
IUPAC Name1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)CCCCBr
InChIInChI=1S/C12H21BrN2O2/c1-14-12(17)10-6-3-5-9-15(10)11(16)7-2-4-8-13/h10H,2-9H2,1H3,(H,14,17)
InChIKeyINPZHMDRFYKQGQ-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60949379
N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide
CID 54871434
1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275
(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide
CID 32599029
N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119736624
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 155261104
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
ethane;5-methylhexan-2-one;(2S)-N-methyl-1-pentanoylpyrrolidine-2-carboxamide
CID 156846202
1-[4-(4-fluorophenyl)-4-oxobutanoyl]-N-methylpiperidine-2-carboxamide
CID 91792309
5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one
CID 107908372
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide
CID 78986673

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide (CID 107909408) is 1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)CCCCBr.
What is the InChIKey of 1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is INPZHMDRFYKQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O2/c1-14-12(17)10-6-3-5-9-15(10)11(16)7-2-4-8-13/h10H,2-9H2,1H3,(H,14,17).
What are the key properties of 1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide?
1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 305.22 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107909408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).