N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide

C24H31BrN2O — CID 166628736

IUPACN-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide
SMILESCCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C24H31BrN2O/c1-3-24(28)27(23-11-9-22(25)10-12-23)18-19(2)26-15-13-21(14-16-26)17-20-7-5-4-6-8-20/h4-12,19,21H,3,13-18H2,1-2H3
InChIKeyRJHWREIVHOZUEI-UHFFFAOYSA-N
MW443.43 g/mol
LogP5.54
Rot. Bonds7

About N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide

N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide (PubChem CID 166628736) has the molecular formula C24H31BrN2O and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide
PubChem CID166628736
Molecular FormulaC24H31BrN2O
Molecular Weight443.43 g/mol
Exact Mass442.16
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide
SMILESCCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C24H31BrN2O/c1-3-24(28)27(23-11-9-22(25)10-12-23)18-19(2)26-15-13-21(14-16-26)17-20-7-5-4-6-8-20/h4-12,19,21H,3,13-18H2,1-2H3
InChIKeyRJHWREIVHOZUEI-UHFFFAOYSA-N
XLogP5.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.43
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide (CID 166628736) is N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide is CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide?
The InChIKey is RJHWREIVHOZUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrN2O/c1-3-24(28)27(23-11-9-22(25)10-12-23)18-19(2)26-15-13-21(14-16-26)17-20-7-5-4-6-8-20/h4-12,19,21H,3,13-18H2,1-2H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide?
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide has a molecular weight of 443.43 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide is sourced from PubChem (CID 166628736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).