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

C21H25ClN2O — CID 14783875

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O/c22-20-8-6-19(7-9-20)21(25)23-13-10-17-11-14-24(15-12-17)16-18-4-2-1-3-5-18/h1-9,17H,10-16H2,(H,23,25)
InChIKeyGBIQVNLCEXSBPV-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.37
Rot. Bonds6

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide (PubChem CID 14783875) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide
PubChem CID14783875
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O/c22-20-8-6-19(7-9-20)21(25)23-13-10-17-11-14-24(15-12-17)16-18-4-2-1-3-5-18/h1-9,17H,10-16H2,(H,23,25)
InChIKeyGBIQVNLCEXSBPV-UHFFFAOYSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.37
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]-4-chlorobenzamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide (CID 14783875) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide?
The InChIKey is GBIQVNLCEXSBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c22-20-8-6-19(7-9-20)21(25)23-13-10-17-11-14-24(15-12-17)16-18-4-2-1-3-5-18/h1-9,17H,10-16H2,(H,23,25).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide has a molecular weight of 356.90 g/mol, XLogP of 4.37, 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]-4-chlorobenzamide is sourced from PubChem (CID 14783875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).