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

C22H28N2O — CID 14783862

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c1-18-7-5-6-10-21(18)22(25)23-14-11-19-12-15-24(16-13-19)17-20-8-3-2-4-9-20/h2-10,19H,11-17H2,1H3,(H,23,25)
InChIKeyNWOPANLPHQEQON-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.03
Rot. Bonds6

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide (PubChem CID 14783862) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide
PubChem CID14783862
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c1-18-7-5-6-10-21(18)22(25)23-14-11-19-12-15-24(16-13-19)17-20-8-3-2-4-9-20/h2-10,19H,11-17H2,1H3,(H,23,25)
InChIKeyNWOPANLPHQEQON-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide (CID 14783862) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide?
The InChIKey is NWOPANLPHQEQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-18-7-5-6-10-21(18)22(25)23-14-11-19-12-15-24(16-13-19)17-20-8-3-2-4-9-20/h2-10,19H,11-17H2,1H3,(H,23,25).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide has a molecular weight of 336.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 14783862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).