N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide

C14H23BrN2O2 — CID 75425497

IUPACN-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
SMILESC=C(Br)CNC(=O)C(CC(C)C)N1CCCCC1=O
InChIInChI=1S/C14H23BrN2O2/c1-10(2)8-12(14(19)16-9-11(3)15)17-7-5-4-6-13(17)18/h10,12H,3-9H2,1-2H3,(H,16,19)
InChIKeyOFFFPLXIHDAYOH-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.44
Rot. Bonds6

About N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide

N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide (PubChem CID 75425497) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
PubChem CID75425497
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC NameN-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
SMILESC=C(Br)CNC(=O)C(CC(C)C)N1CCCCC1=O
InChIInChI=1S/C14H23BrN2O2/c1-10(2)8-12(14(19)16-9-11(3)15)17-7-5-4-6-13(17)18/h10,12H,3-9H2,1-2H3,(H,16,19)
InChIKeyOFFFPLXIHDAYOH-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide (CID 75425497) is N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide is C=C(Br)CNC(=O)C(CC(C)C)N1CCCCC1=O.
What is the InChIKey of N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide?
The InChIKey is OFFFPLXIHDAYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-10(2)8-12(14(19)16-9-11(3)15)17-7-5-4-6-13(17)18/h10,12H,3-9H2,1-2H3,(H,16,19).
What are the key properties of N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide?
N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide has a molecular weight of 331.25 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide is sourced from PubChem (CID 75425497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).