N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide

C22H28N2O — CID 14783863

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O/c1-18-6-5-9-21(16-18)22(25)23-13-10-19-11-14-24(15-12-19)17-20-7-3-2-4-8-20/h2-9,16,19H,10-15,17H2,1H3,(H,23,25)
InChIKeyLPKNFNOARGPNJB-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.03
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide (PubChem CID 14783863) 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]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
PubChem CID14783863
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O/c1-18-6-5-9-21(16-18)22(25)23-13-10-19-11-14-24(15-12-19)17-20-7-3-2-4-8-20/h2-9,16,19H,10-15,17H2,1H3,(H,23,25)
InChIKeyLPKNFNOARGPNJB-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]-3-methylbenzamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide (CID 14783863) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide?
The InChIKey is LPKNFNOARGPNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-18-6-5-9-21(16-18)22(25)23-13-10-19-11-14-24(15-12-19)17-20-7-3-2-4-8-20/h2-9,16,19H,10-15,17H2,1H3,(H,23,25).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-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]-3-methylbenzamide is sourced from PubChem (CID 14783863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).