2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide

C16H23BrN2O — CID 107983067

IUPAC2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(C)c1Br)C1CCNCC1
InChIInChI=1S/C16H23BrN2O/c1-3-11-19(13-7-9-18-10-8-13)16(20)14-6-4-5-12(2)15(14)17/h4-6,13,18H,3,7-11H2,1-2H3
InChIKeyRHYSLANGRQMHNH-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.36
Rot. Bonds4

About 2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide

2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide (PubChem CID 107983067) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
PubChem CID107983067
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(C)c1Br)C1CCNCC1
InChIInChI=1S/C16H23BrN2O/c1-3-11-19(13-7-9-18-10-8-13)16(20)14-6-4-5-12(2)15(14)17/h4-6,13,18H,3,7-11H2,1-2H3
InChIKeyRHYSLANGRQMHNH-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
N-ethyl-2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81477812
N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide
CID 66184160
2-amino-N-cyclopropyl-3-methyl-N-propylbenzamide
CID 43269918
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826026
2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983259
2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 103853497
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide
CID 107983677
N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide
CID 11162642

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide?
The IUPAC name of 2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide (CID 107983067) is 2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide?
The canonical SMILES for 2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide is CCCN(C(=O)c1cccc(C)c1Br)C1CCNCC1.
What is the InChIKey of 2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide?
The InChIKey is RHYSLANGRQMHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-3-11-19(13-7-9-18-10-8-13)16(20)14-6-4-5-12(2)15(14)17/h4-6,13,18H,3,7-11H2,1-2H3.
What are the key properties of 2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide?
2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide has a molecular weight of 339.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide is sourced from PubChem (CID 107983067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).