N-(1-benzylpiperidin-4-yl)-4-bromo-N-pyridin-3-ylbenzamide

C24H24BrN3O — CID 10742178

IUPACN-(1-benzylpiperidin-4-yl)-4-bromo-N-pyridin-3-ylbenzamide
SMILESO=C(c1ccc(Br)cc1)N(c1cccnc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H24BrN3O/c25-21-10-8-20(9-11-21)24(29)28(23-7-4-14-26-17-23)22-12-15-27(16-13-22)18-19-5-2-1-3-6-19/h1-11,14,17,22H,12-13,15-16,18H2
InChIKeyCJLABAFJLFSHBB-UHFFFAOYSA-N
MW450.38 g/mol
LogP5.16
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-bromo-N-pyridin-3-ylbenzamide

N-(1-benzylpiperidin-4-yl)-4-bromo-N-pyridin-3-ylbenzamide (PubChem CID 10742178) has the molecular formula C24H24BrN3O and a molecular weight of 450.38 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-bromo-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-bromo-N-pyridin-3-ylbenzamide
PubChem CID10742178
Molecular FormulaC24H24BrN3O
Molecular Weight450.38 g/mol
Exact Mass449.11
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-bromo-N-pyridin-3-ylbenzamide
SMILESO=C(c1ccc(Br)cc1)N(c1cccnc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H24BrN3O/c25-21-10-8-20(9-11-21)24(29)28(23-7-4-14-26-17-23)22-12-15-27(16-13-22)18-19-5-2-1-3-6-19/h1-11,14,17,22H,12-13,15-16,18H2
InChIKeyCJLABAFJLFSHBB-UHFFFAOYSA-N
XLogP5.16
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.38
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-bromo-N-pyridin-3-ylbenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-bromo-N-pyridin-3-ylbenzamide (CID 10742178) is N-(1-benzylpiperidin-4-yl)-4-bromo-N-pyridin-3-ylbenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-bromo-N-pyridin-3-ylbenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-bromo-N-pyridin-3-ylbenzamide is O=C(c1ccc(Br)cc1)N(c1cccnc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-bromo-N-pyridin-3-ylbenzamide?
The InChIKey is CJLABAFJLFSHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O/c25-21-10-8-20(9-11-21)24(29)28(23-7-4-14-26-17-23)22-12-15-27(16-13-22)18-19-5-2-1-3-6-19/h1-11,14,17,22H,12-13,15-16,18H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-bromo-N-pyridin-3-ylbenzamide?
N-(1-benzylpiperidin-4-yl)-4-bromo-N-pyridin-3-ylbenzamide has a molecular weight of 450.38 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-bromo-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 10742178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).