3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide

C17H23BrN2O — CID 106628507

IUPAC3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCc1c(Br)cccc1C(=O)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C17H23BrN2O/c1-12-15(5-2-6-16(12)18)17(21)20(14-7-8-14)11-13-4-3-9-19-10-13/h2,5-6,13-14,19H,3-4,7-11H2,1H3
InChIKeyLCIOKQBLEULEDZ-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.36
Rot. Bonds4

About 3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide

3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 106628507) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID106628507
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCc1c(Br)cccc1C(=O)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C17H23BrN2O/c1-12-15(5-2-6-16(12)18)17(21)20(14-7-8-14)11-13-4-3-9-19-10-13/h2,5-6,13-14,19H,3-4,7-11H2,1H3
InChIKeyLCIOKQBLEULEDZ-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628749
5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628689
3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629324
N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide
CID 104974738
2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 107983274
3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107098424
4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628579
3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 107956383
2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627953
2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106628756
4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106628800
2-fluoro-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627734

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide (CID 106628507) is 3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide is Cc1c(Br)cccc1C(=O)N(CC1CCCNC1)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is LCIOKQBLEULEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-12-15(5-2-6-16(12)18)17(21)20(14-7-8-14)11-13-4-3-9-19-10-13/h2,5-6,13-14,19H,3-4,7-11H2,1H3.
What are the key properties of 3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide?
3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 351.29 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 3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 106628507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).