2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide

C17H23BrN2O — CID 81111905

IUPAC2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCc1ccc(Br)c(C(=O)N(CC2CCNCC2)C2CC2)c1
InChIInChI=1S/C17H23BrN2O/c1-12-2-5-16(18)15(10-12)17(21)20(14-3-4-14)11-13-6-8-19-9-7-13/h2,5,10,13-14,19H,3-4,6-9,11H2,1H3
InChIKeyKOJAHKMTTNERQE-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.36
Rot. Bonds4

About 2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide

2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 81111905) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
PubChem CID81111905
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCc1ccc(Br)c(C(=O)N(CC2CCNCC2)C2CC2)c1
InChIInChI=1S/C17H23BrN2O/c1-12-2-5-16(18)15(10-12)17(21)20(14-3-4-14)11-13-6-8-19-9-7-13/h2,5,10,13-14,19H,3-4,6-9,11H2,1H3
InChIKeyKOJAHKMTTNERQE-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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide (CID 81111905) is 2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide is Cc1ccc(Br)c(C(=O)N(CC2CCNCC2)C2CC2)c1.
What is the InChIKey of 2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is KOJAHKMTTNERQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-12-2-5-16(18)15(10-12)17(21)20(14-3-4-14)11-13-6-8-19-9-7-13/h2,5,10,13-14,19H,3-4,6-9,11H2,1H3.
What are the key properties of 2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide?
2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-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 2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 81111905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).