3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

C19H27BrN2O — CID 4678807

IUPAC3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C19H27BrN2O/c20-17-9-7-8-16(14-17)18(23)21-15-19(10-3-1-4-11-19)22-12-5-2-6-13-22/h7-9,14H,1-6,10-13,15H2,(H,21,23)
InChIKeyMNQUOYFFQQGFFH-UHFFFAOYSA-N
MW379.34 g/mol
LogP4.37
Rot. Bonds4

About 3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 4678807) has the molecular formula C19H27BrN2O and a molecular weight of 379.34 g/mol. Its IUPAC name is 3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID4678807
Molecular FormulaC19H27BrN2O
Molecular Weight379.34 g/mol
Exact Mass378.13
IUPAC Name3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C19H27BrN2O/c20-17-9-7-8-16(14-17)18(23)21-15-19(10-3-1-4-11-19)22-12-5-2-6-13-22/h7-9,14H,1-6,10-13,15H2,(H,21,23)
InChIKeyMNQUOYFFQQGFFH-UHFFFAOYSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (CID 4678807) is 3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is O=C(NCC1(N2CCCCC2)CCCCC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is MNQUOYFFQQGFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O/c20-17-9-7-8-16(14-17)18(23)21-15-19(10-3-1-4-11-19)22-12-5-2-6-13-22/h7-9,14H,1-6,10-13,15H2,(H,21,23).
What are the key properties of 3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 379.34 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 4678807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).