N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide

C18H20ClN3O — CID 10065188

IUPACN-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide
SMILESO=C(NCN1CCN(c2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C18H20ClN3O/c19-16-8-4-5-9-17(16)22-12-10-21(11-13-22)14-20-18(23)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
InChIKeyNZCZNMGSFLEVRM-UHFFFAOYSA-N
MW329.83 g/mol
LogP2.85
Rot. Bonds4

About N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide

N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide (PubChem CID 10065188) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide
PubChem CID10065188
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide
SMILESO=C(NCN1CCN(c2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C18H20ClN3O/c19-16-8-4-5-9-17(16)22-12-10-21(11-13-22)14-20-18(23)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
InChIKeyNZCZNMGSFLEVRM-UHFFFAOYSA-N
XLogP2.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide (CID 10065188) is N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide is O=C(NCN1CCN(c2ccccc2Cl)CC1)c1ccccc1.
What is the InChIKey of N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is NZCZNMGSFLEVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-16-8-4-5-9-17(16)22-12-10-21(11-13-22)14-20-18(23)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23).
What are the key properties of N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide?
N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 329.83 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 10065188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).