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

C24H32N2O — CID 156782591

IUPACN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(4-methylphenyl)propanamide
SMILESCCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccc(C)cc1
InChIInChI=1S/C24H32N2O/c1-3-24(27)26(23-11-9-20(2)10-12-23)18-17-25-15-13-22(14-16-25)19-21-7-5-4-6-8-21/h4-12,22H,3,13-19H2,1-2H3
InChIKeyVGXBZPOHKHDSPD-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.69
Rot. Bonds7

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

N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(4-methylphenyl)propanamide (PubChem CID 156782591) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(4-methylphenyl)propanamide
PubChem CID156782591
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(4-methylphenyl)propanamide
SMILESCCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccc(C)cc1
InChIInChI=1S/C24H32N2O/c1-3-24(27)26(23-11-9-20(2)10-12-23)18-17-25-15-13-22(14-16-25)19-21-7-5-4-6-8-21/h4-12,22H,3,13-19H2,1-2H3
InChIKeyVGXBZPOHKHDSPD-UHFFFAOYSA-N
XLogP4.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.69
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-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(4-methylphenyl)propanamide (CID 156782591) is N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(4-methylphenyl)propanamide is CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccc(C)cc1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(4-methylphenyl)propanamide?
The InChIKey is VGXBZPOHKHDSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-3-24(27)26(23-11-9-20(2)10-12-23)18-17-25-15-13-22(14-16-25)19-21-7-5-4-6-8-21/h4-12,22H,3,13-19H2,1-2H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(4-methylphenyl)propanamide?
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(4-methylphenyl)propanamide has a molecular weight of 364.53 g/mol, XLogP of 4.69, 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)ethyl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 156782591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).