N-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide

C18H20ClN3O — CID 600179

IUPACN-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C18H20ClN3O/c19-16-8-4-5-9-17(16)20-18(23)14-21-10-12-22(13-11-21)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
InChIKeyPTAUSEMXADGRBI-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.10
Rot. Bonds4

About N-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 600179) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID600179
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C18H20ClN3O/c19-16-8-4-5-9-17(16)20-18(23)14-21-10-12-22(13-11-21)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
InChIKeyPTAUSEMXADGRBI-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 600179) is N-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is PTAUSEMXADGRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-16-8-4-5-9-17(16)20-18(23)14-21-10-12-22(13-11-21)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23).
What are the key properties of N-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 329.83 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 600179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).