N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide

C17H21BrN2O3 — CID 108558019

IUPACN-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NC1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C17H21BrN2O3/c1-12(21)6-7-16(22)19-13-8-10-20(11-9-13)17(23)14-4-2-3-5-15(14)18/h2-5,13H,6-11H2,1H3,(H,19,22)
InChIKeyXUPGVGQXLZTPIW-UHFFFAOYSA-N
MW381.27 g/mol
LogP2.54
Rot. Bonds5

About N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide

N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide (PubChem CID 108558019) has the molecular formula C17H21BrN2O3 and a molecular weight of 381.27 g/mol. Its IUPAC name is N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide
PubChem CID108558019
Molecular FormulaC17H21BrN2O3
Molecular Weight381.27 g/mol
Exact Mass380.07
IUPAC NameN-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NC1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C17H21BrN2O3/c1-12(21)6-7-16(22)19-13-8-10-20(11-9-13)17(23)14-4-2-3-5-15(14)18/h2-5,13H,6-11H2,1H3,(H,19,22)
InChIKeyXUPGVGQXLZTPIW-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide?
The IUPAC name of N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide (CID 108558019) is N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide.
What is the SMILES notation for N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide?
The canonical SMILES for N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide is CC(=O)CCC(=O)NC1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide?
The InChIKey is XUPGVGQXLZTPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O3/c1-12(21)6-7-16(22)19-13-8-10-20(11-9-13)17(23)14-4-2-3-5-15(14)18/h2-5,13H,6-11H2,1H3,(H,19,22).
What are the key properties of N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide?
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide has a molecular weight of 381.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide is sourced from PubChem (CID 108558019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).