2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide

C13H25BrN2O — CID 43700528

IUPAC2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC(C)C(Br)C(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C13H25BrN2O/c1-9(2)12(14)13(17)15-11-5-7-16(8-6-11)10(3)4/h9-12H,5-8H2,1-4H3,(H,15,17)
InChIKeyWOYLKYGFIUYJQL-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.39
Rot. Bonds4

About 2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide

2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide (PubChem CID 43700528) has the molecular formula C13H25BrN2O and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
PubChem CID43700528
Molecular FormulaC13H25BrN2O
Molecular Weight305.26 g/mol
Exact Mass304.12
IUPAC Name2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC(C)C(Br)C(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C13H25BrN2O/c1-9(2)12(14)13(17)15-11-5-7-16(8-6-11)10(3)4/h9-12H,5-8H2,1-4H3,(H,15,17)
InChIKeyWOYLKYGFIUYJQL-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.39
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

2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
(2S)-2-bromo-N-cycloheptyl-3-methylbutanamide
CID 93300412
2-bromo-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylbutanamide
CID 61251555
2-amino-3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 76887361
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 79024824
1-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43223565
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 54593359
3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60842653
4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 79200680
4-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 162725913
3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 106979930

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The IUPAC name of 2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide (CID 43700528) is 2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The canonical SMILES for 2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide is CC(C)C(Br)C(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of 2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The InChIKey is WOYLKYGFIUYJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrN2O/c1-9(2)12(14)13(17)15-11-5-7-16(8-6-11)10(3)4/h9-12H,5-8H2,1-4H3,(H,15,17).
What are the key properties of 2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide has a molecular weight of 305.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide is sourced from PubChem (CID 43700528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).