4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide

C16H23BrN2O — CID 61041639

IUPAC4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(N(C)C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H23BrN2O/c1-3-10-19-11-8-15(9-12-19)18(2)16(20)13-4-6-14(17)7-5-13/h4-7,15H,3,8-12H2,1-2H3
InChIKeyVAZWZXQARBWPCD-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.40
Rot. Bonds4

About 4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide

4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 61041639) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID61041639
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(N(C)C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H23BrN2O/c1-3-10-19-11-8-15(9-12-19)18(2)16(20)13-4-6-14(17)7-5-13/h4-7,15H,3,8-12H2,1-2H3
InChIKeyVAZWZXQARBWPCD-UHFFFAOYSA-N
XLogP3.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 80972236
3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103826706
6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 63978585
4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61041943
2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 61044792
N,4-dimethyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide
CID 143233555
3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139109
4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide
CID 155777509
5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051847
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 113349444
1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43219918
N-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide
CID 84607748

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide (CID 61041639) is 4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(N(C)C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is VAZWZXQARBWPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-3-10-19-11-8-15(9-12-19)18(2)16(20)13-4-6-14(17)7-5-13/h4-7,15H,3,8-12H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 339.28 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 61041639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).