N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide

C15H19BrN2O2 — CID 115770342

IUPACN-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2ccc(Br)c(C)c2)CC1
InChIInChI=1S/C15H19BrN2O2/c1-10-9-12(3-4-14(10)16)15(20)18-7-5-13(6-8-18)17-11(2)19/h3-4,9,13H,5-8H2,1-2H3,(H,17,19)
InChIKeyFSIPTPFFGHIGTF-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.50
Rot. Bonds2

About N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide

N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide (PubChem CID 115770342) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide
PubChem CID115770342
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC NameN-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2ccc(Br)c(C)c2)CC1
InChIInChI=1S/C15H19BrN2O2/c1-10-9-12(3-4-14(10)16)15(20)18-7-5-13(6-8-18)17-11(2)19/h3-4,9,13H,5-8H2,1-2H3,(H,17,19)
InChIKeyFSIPTPFFGHIGTF-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

aziridin-1-yl-(4-bromo-3-methylphenyl)methanone
CID 131112534
(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 112705709
(3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563275
N-[1-(4-iodobenzoyl)piperidin-4-yl]acetamide
CID 49348956
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
(4-bromo-3-methylphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 115770674
N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 115738808
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide
CID 103826810
N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 113228864

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide (CID 115770342) is N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2ccc(Br)c(C)c2)CC1.
What is the InChIKey of N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide?
The InChIKey is FSIPTPFFGHIGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10-9-12(3-4-14(10)16)15(20)18-7-5-13(6-8-18)17-11(2)19/h3-4,9,13H,5-8H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide?
N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide has a molecular weight of 339.23 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 115770342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).