3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

C19H21BrN2O — CID 1297445

IUPAC3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Br)c1
InChIInChI=1S/C19H21BrN2O/c20-17-6-4-5-16(13-17)19(23)21-18-9-7-15(8-10-18)14-22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14H2,(H,21,23)
InChIKeyOKDGOSIKJZJDTQ-UHFFFAOYSA-N
MW373.29 g/mol
LogP4.69
Rot. Bonds4

About 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 1297445) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID1297445
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Br)c1
InChIInChI=1S/C19H21BrN2O/c20-17-6-4-5-16(13-17)19(23)21-18-9-7-15(8-10-18)14-22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14H2,(H,21,23)
InChIKeyOKDGOSIKJZJDTQ-UHFFFAOYSA-N
XLogP4.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (CID 1297445) is 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is OKDGOSIKJZJDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c20-17-6-4-5-16(13-17)19(23)21-18-9-7-15(8-10-18)14-22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14H2,(H,21,23).
What are the key properties of 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 373.29 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 1297445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).