N-(1-benzylpiperidin-4-yl)-3-bromobenzamide

C19H21BrN2O — CID 3759933

IUPACN-(1-benzylpiperidin-4-yl)-3-bromobenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Br)c1
InChIInChI=1S/C19H21BrN2O/c20-17-8-4-7-16(13-17)19(23)21-18-9-11-22(12-10-18)14-15-5-2-1-3-6-15/h1-8,13,18H,9-12,14H2,(H,21,23)
InChIKeyRHEHCYIXUWNOJN-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.84
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-3-bromobenzamide

N-(1-benzylpiperidin-4-yl)-3-bromobenzamide (PubChem CID 3759933) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-bromobenzamide
PubChem CID3759933
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-bromobenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Br)c1
InChIInChI=1S/C19H21BrN2O/c20-17-8-4-7-16(13-17)19(23)21-18-9-11-22(12-10-18)14-15-5-2-1-3-6-15/h1-8,13,18H,9-12,14H2,(H,21,23)
InChIKeyRHEHCYIXUWNOJN-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-bromobenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-bromobenzamide (CID 3759933) is N-(1-benzylpiperidin-4-yl)-3-bromobenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-bromobenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-bromobenzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Br)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-bromobenzamide?
The InChIKey is RHEHCYIXUWNOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c20-17-8-4-7-16(13-17)19(23)21-18-9-11-22(12-10-18)14-15-5-2-1-3-6-15/h1-8,13,18H,9-12,14H2,(H,21,23).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-bromobenzamide?
N-(1-benzylpiperidin-4-yl)-3-bromobenzamide has a molecular weight of 373.29 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-bromobenzamide is sourced from PubChem (CID 3759933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).