3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide

C21H25ClN2O — CID 14762591

IUPAC3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide
SMILESO=C(CCN1CCC(Cc2ccccc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C21H25ClN2O/c22-19-8-4-5-9-20(19)23-21(25)12-15-24-13-10-18(11-14-24)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,25)
InChIKeyXFBLWWYGVKPLIZ-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.62
Rot. Bonds6

About 3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide

3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide (PubChem CID 14762591) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide
PubChem CID14762591
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide
SMILESO=C(CCN1CCC(Cc2ccccc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C21H25ClN2O/c22-19-8-4-5-9-20(19)23-21(25)12-15-24-13-10-18(11-14-24)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,25)
InChIKeyXFBLWWYGVKPLIZ-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide (CID 14762591) is 3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide is O=C(CCN1CCC(Cc2ccccc2)CC1)Nc1ccccc1Cl.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide?
The InChIKey is XFBLWWYGVKPLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c22-19-8-4-5-9-20(19)23-21(25)12-15-24-13-10-18(11-14-24)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,25).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide?
3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide has a molecular weight of 356.90 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 14762591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).