4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide

C16H22BrN3O2 — CID 119443848

IUPAC4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide
SMILESCN(C(=O)CCNC(=O)c1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C16H22BrN3O2/c1-20(14-6-9-18-10-7-14)15(21)8-11-19-16(22)12-2-4-13(17)5-3-12/h2-5,14,18H,6-11H2,1H3,(H,19,22)
InChIKeyZGNFBAWRJOANED-UHFFFAOYSA-N
MW368.28 g/mol
LogP1.78
Rot. Bonds5

About 4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide

4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide (PubChem CID 119443848) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide
PubChem CID119443848
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide
SMILESCN(C(=O)CCNC(=O)c1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C16H22BrN3O2/c1-20(14-6-9-18-10-7-14)15(21)8-11-19-16(22)12-2-4-13(17)5-3-12/h2-5,14,18H,6-11H2,1H3,(H,19,22)
InChIKeyZGNFBAWRJOANED-UHFFFAOYSA-N
XLogP1.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride
CID 119532455
3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119444658
4-chloro-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 119552421
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide
CID 119442803
4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide
CID 60549241
N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide
CID 119442941
N-[3-[[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-3-oxopropyl]-4-fluorobenzamide
CID 134704994
N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride
CID 119442940
N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide
CID 47089544
2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide
CID 119442533
N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide
CID 119443079

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide (CID 119443848) is 4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide is CN(C(=O)CCNC(=O)c1ccc(Br)cc1)C1CCNCC1.
What is the InChIKey of 4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is ZGNFBAWRJOANED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c1-20(14-6-9-18-10-7-14)15(21)8-11-19-16(22)12-2-4-13(17)5-3-12/h2-5,14,18H,6-11H2,1H3,(H,19,22).
What are the key properties of 4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide?
4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 368.28 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 119443848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).