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

C26H36N2O — CID 166636167

IUPACN-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-phenylethyl)propanamide
SMILESCCC(=O)N(CCc1ccccc1)CC(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H36N2O/c1-3-26(29)28(19-14-23-10-6-4-7-11-23)21-22(2)27-17-15-25(16-18-27)20-24-12-8-5-9-13-24/h4-13,22,25H,3,14-21H2,1-2H3
InChIKeyLCOWXCQWEITXMZ-UHFFFAOYSA-N
MW392.59 g/mol
LogP4.81
Rot. Bonds9

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

N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-phenylethyl)propanamide (PubChem CID 166636167) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-phenylethyl)propanamide
PubChem CID166636167
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-phenylethyl)propanamide
SMILESCCC(=O)N(CCc1ccccc1)CC(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H36N2O/c1-3-26(29)28(19-14-23-10-6-4-7-11-23)21-22(2)27-17-15-25(16-18-27)20-24-12-8-5-9-13-24/h4-13,22,25H,3,14-21H2,1-2H3
InChIKeyLCOWXCQWEITXMZ-UHFFFAOYSA-N
XLogP4.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(2-phenylethyl)propanamide
CID 162665076
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide
CID 166628736
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
2-(4-benzylpiperidin-1-yl)propan-1-amine
CID 16642433
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62418483
2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62418678
N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
N-phenyl-N-[1-[(2S)-1-phenylpropan-2-yl]piperidin-4-yl]propanamide
CID 36689715

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-phenylethyl)propanamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-phenylethyl)propanamide (CID 166636167) is N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-phenylethyl)propanamide is CCC(=O)N(CCc1ccccc1)CC(C)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-phenylethyl)propanamide?
The InChIKey is LCOWXCQWEITXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-3-26(29)28(19-14-23-10-6-4-7-11-23)21-22(2)27-17-15-25(16-18-27)20-24-12-8-5-9-13-24/h4-13,22,25H,3,14-21H2,1-2H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-phenylethyl)propanamide?
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-phenylethyl)propanamide has a molecular weight of 392.59 g/mol, XLogP of 4.81, 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)propyl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 166636167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).