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

C17H23BrN2O — CID 115999697

IUPAC3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCc1cc(Br)cc(C(=O)N(CC2CCNCC2)C2CC2)c1
InChIInChI=1S/C17H23BrN2O/c1-12-8-14(10-15(18)9-12)17(21)20(16-2-3-16)11-13-4-6-19-7-5-13/h8-10,13,16,19H,2-7,11H2,1H3
InChIKeyGVKOVWBRAXSHHH-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.36
Rot. Bonds4

About 3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide

3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 115999697) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
PubChem CID115999697
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCc1cc(Br)cc(C(=O)N(CC2CCNCC2)C2CC2)c1
InChIInChI=1S/C17H23BrN2O/c1-12-8-14(10-15(18)9-12)17(21)20(16-2-3-16)11-13-4-6-19-7-5-13/h8-10,13,16,19H,2-7,11H2,1H3
InChIKeyGVKOVWBRAXSHHH-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

3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
CID 104852761
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 115999695
3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
CID 107980320
2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 81111905
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 104852405
N-cyclopropyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79702133
N-cyclopropyl-5-hydroxy-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
CID 79720724
N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide
CID 107583461
3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 113460894
4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide
CID 79701617
3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 104852406

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide (CID 115999697) is 3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide is Cc1cc(Br)cc(C(=O)N(CC2CCNCC2)C2CC2)c1.
What is the InChIKey of 3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is GVKOVWBRAXSHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-12-8-14(10-15(18)9-12)17(21)20(16-2-3-16)11-13-4-6-19-7-5-13/h8-10,13,16,19H,2-7,11H2,1H3.
What are the key properties of 3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide?
3-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 3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 115999697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).