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

C23H30N2O — CID 14783892

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide
SMILESCCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
InChIInChI=1S/C23H30N2O/c1-2-25(23(26)22-11-7-4-8-12-22)18-15-20-13-16-24(17-14-20)19-21-9-5-3-6-10-21/h3-12,20H,2,13-19H2,1H3
InChIKeyYSCDXWIZUUJPRB-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.45
Rot. Bonds7

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide (PubChem CID 14783892) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide
PubChem CID14783892
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide
SMILESCCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
InChIInChI=1S/C23H30N2O/c1-2-25(23(26)22-11-7-4-8-12-22)18-15-20-13-16-24(17-14-20)19-21-9-5-3-6-10-21/h3-12,20H,2,13-19H2,1H3
InChIKeyYSCDXWIZUUJPRB-UHFFFAOYSA-N
XLogP4.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide (CID 14783892) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide is CCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide?
The InChIKey is YSCDXWIZUUJPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-2-25(23(26)22-11-7-4-8-12-22)18-15-20-13-16-24(17-14-20)19-21-9-5-3-6-10-21/h3-12,20H,2,13-19H2,1H3.
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide has a molecular weight of 350.51 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide is sourced from PubChem (CID 14783892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).