N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide

C25H34N2O — CID 156782597

IUPACN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide
SMILESCCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)C(C)c1ccccc1
InChIInChI=1S/C25H34N2O/c1-3-25(28)27(21(2)24-12-8-5-9-13-24)19-18-26-16-14-23(15-17-26)20-22-10-6-4-7-11-22/h4-13,21,23H,3,14-20H2,1-2H3
InChIKeyPAKUZIBLZMHUOD-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.94
Rot. Bonds8

About N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide

N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide (PubChem CID 156782597) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide
PubChem CID156782597
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide
SMILESCCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)C(C)c1ccccc1
InChIInChI=1S/C25H34N2O/c1-3-25(28)27(21(2)24-12-8-5-9-13-24)19-18-26-16-14-23(15-17-26)20-22-10-6-4-7-11-22/h4-13,21,23H,3,14-20H2,1-2H3
InChIKeyPAKUZIBLZMHUOD-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
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)ethyl]-N-(1-phenylethyl)propanamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide (CID 156782597) is N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide is CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)C(C)c1ccccc1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide?
The InChIKey is PAKUZIBLZMHUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-3-25(28)27(21(2)24-12-8-5-9-13-24)19-18-26-16-14-23(15-17-26)20-22-10-6-4-7-11-22/h4-13,21,23H,3,14-20H2,1-2H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide?
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide has a molecular weight of 378.56 g/mol, XLogP of 4.94, 8 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)ethyl]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 156782597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).