4-acetamido-N-[(2-chlorophenyl)methyl]-2-piperidin-1-ylbenzamide

C21H24ClN3O2 — CID 53145932

IUPAC4-acetamido-N-[(2-chlorophenyl)methyl]-2-piperidin-1-ylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2ccccc2Cl)c(N2CCCCC2)c1
InChIInChI=1S/C21H24ClN3O2/c1-15(26)24-17-9-10-18(20(13-17)25-11-5-2-6-12-25)21(27)23-14-16-7-3-4-8-19(16)22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyKNAWBCITVSPIOM-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.22
Rot. Bonds5

About 4-acetamido-N-[(2-chlorophenyl)methyl]-2-piperidin-1-ylbenzamide

4-acetamido-N-[(2-chlorophenyl)methyl]-2-piperidin-1-ylbenzamide (PubChem CID 53145932) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-acetamido-N-[(2-chlorophenyl)methyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name4-acetamido-N-[(2-chlorophenyl)methyl]-2-piperidin-1-ylbenzamide
PubChem CID53145932
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name4-acetamido-N-[(2-chlorophenyl)methyl]-2-piperidin-1-ylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2ccccc2Cl)c(N2CCCCC2)c1
InChIInChI=1S/C21H24ClN3O2/c1-15(26)24-17-9-10-18(20(13-17)25-11-5-2-6-12-25)21(27)23-14-16-7-3-4-8-19(16)22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyKNAWBCITVSPIOM-UHFFFAOYSA-N
XLogP4.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(2-chlorophenyl)methyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 4-acetamido-N-[(2-chlorophenyl)methyl]-2-piperidin-1-ylbenzamide (CID 53145932) is 4-acetamido-N-[(2-chlorophenyl)methyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 4-acetamido-N-[(2-chlorophenyl)methyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 4-acetamido-N-[(2-chlorophenyl)methyl]-2-piperidin-1-ylbenzamide is CC(=O)Nc1ccc(C(=O)NCc2ccccc2Cl)c(N2CCCCC2)c1.
What is the InChIKey of 4-acetamido-N-[(2-chlorophenyl)methyl]-2-piperidin-1-ylbenzamide?
The InChIKey is KNAWBCITVSPIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-15(26)24-17-9-10-18(20(13-17)25-11-5-2-6-12-25)21(27)23-14-16-7-3-4-8-19(16)22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 4-acetamido-N-[(2-chlorophenyl)methyl]-2-piperidin-1-ylbenzamide?
4-acetamido-N-[(2-chlorophenyl)methyl]-2-piperidin-1-ylbenzamide has a molecular weight of 385.90 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(2-chlorophenyl)methyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 53145932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).