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

C25H34N2O — CID 162665076

IUPACN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(2-phenylethyl)propanamide
SMILESCCC(=O)N(CCc1ccccc1)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H34N2O/c1-2-25(28)27(18-15-22-9-5-3-6-10-22)20-19-26-16-13-24(14-17-26)21-23-11-7-4-8-12-23/h3-12,24H,2,13-21H2,1H3
InChIKeyNKRJQZFDJWXCRC-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.42
Rot. Bonds9

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

N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(2-phenylethyl)propanamide (PubChem CID 162665076) 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-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(2-phenylethyl)propanamide
PubChem CID162665076
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(2-phenylethyl)propanamide
SMILESCCC(=O)N(CCc1ccccc1)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H34N2O/c1-2-25(28)27(18-15-22-9-5-3-6-10-22)20-19-26-16-13-24(14-17-26)21-23-11-7-4-8-12-23/h3-12,24H,2,13-21H2,1H3
InChIKeyNKRJQZFDJWXCRC-UHFFFAOYSA-N
XLogP4.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-phenylethyl)propanamide
CID 166636167
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987
2-(4-benzylpiperidin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001508
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide
CID 142145298
N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide
CID 24769365
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
3-[4-(4-benzylpiperidin-1-yl)butyl]phenol
CID 57143217
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(2-phenylethyl)propanamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(2-phenylethyl)propanamide (CID 162665076) is N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(2-phenylethyl)propanamide is CCC(=O)N(CCc1ccccc1)CCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(2-phenylethyl)propanamide?
The InChIKey is NKRJQZFDJWXCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-2-25(28)27(18-15-22-9-5-3-6-10-22)20-19-26-16-13-24(14-17-26)21-23-11-7-4-8-12-23/h3-12,24H,2,13-21H2,1H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(2-phenylethyl)propanamide?
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(2-phenylethyl)propanamide has a molecular weight of 378.56 g/mol, XLogP of 4.42, 9 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-(2-phenylethyl)propanamide is sourced from PubChem (CID 162665076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).