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

C25H34N2O — CID 166629896

IUPACN-benzyl-N-[2-(4-benzylpiperidin-1-yl)propyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1)CC(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H34N2O/c1-3-25(28)27(20-24-12-8-5-9-13-24)19-21(2)26-16-14-23(15-17-26)18-22-10-6-4-7-11-22/h4-13,21,23H,3,14-20H2,1-2H3
InChIKeyKOLVNRBABLWBMS-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.77
Rot. Bonds8

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

N-benzyl-N-[2-(4-benzylpiperidin-1-yl)propyl]propanamide (PubChem CID 166629896) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is N-benzyl-N-[2-(4-benzylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(4-benzylpiperidin-1-yl)propyl]propanamide
PubChem CID166629896
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC NameN-benzyl-N-[2-(4-benzylpiperidin-1-yl)propyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1)CC(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H34N2O/c1-3-25(28)27(20-24-12-8-5-9-13-24)19-21(2)26-16-14-23(15-17-26)18-22-10-6-4-7-11-22/h4-13,21,23H,3,14-20H2,1-2H3
InChIKeyKOLVNRBABLWBMS-UHFFFAOYSA-N
XLogP4.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(4-benzylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of N-benzyl-N-[2-(4-benzylpiperidin-1-yl)propyl]propanamide (CID 166629896) is N-benzyl-N-[2-(4-benzylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for N-benzyl-N-[2-(4-benzylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for N-benzyl-N-[2-(4-benzylpiperidin-1-yl)propyl]propanamide is CCC(=O)N(Cc1ccccc1)CC(C)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-[2-(4-benzylpiperidin-1-yl)propyl]propanamide?
The InChIKey is KOLVNRBABLWBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-3-25(28)27(20-24-12-8-5-9-13-24)19-21(2)26-16-14-23(15-17-26)18-22-10-6-4-7-11-22/h4-13,21,23H,3,14-20H2,1-2H3.
What are the key properties of N-benzyl-N-[2-(4-benzylpiperidin-1-yl)propyl]propanamide?
N-benzyl-N-[2-(4-benzylpiperidin-1-yl)propyl]propanamide has a molecular weight of 378.56 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(4-benzylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 166629896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).