2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide

C20H23ClN2O — CID 953577

IUPAC2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H23ClN2O/c21-18-8-4-16(5-9-18)14-20(24)22-19-10-6-17(7-11-19)15-23-12-2-1-3-13-23/h4-11H,1-3,12-15H2,(H,22,24)
InChIKeyYXRNFJKLTRVOBW-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.51
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide

2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide (PubChem CID 953577) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
PubChem CID953577
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H23ClN2O/c21-18-8-4-16(5-9-18)14-20(24)22-19-10-6-17(7-11-19)15-23-12-2-1-3-13-23/h4-11H,1-3,12-15H2,(H,22,24)
InChIKeyYXRNFJKLTRVOBW-UHFFFAOYSA-N
XLogP4.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide (CID 953577) is 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is YXRNFJKLTRVOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c21-18-8-4-16(5-9-18)14-20(24)22-19-10-6-17(7-11-19)15-23-12-2-1-3-13-23/h4-11H,1-3,12-15H2,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide?
2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 342.87 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 953577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).