2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide

C12H16ClN3O — CID 895427

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H16ClN3O/c13-10-2-1-3-11(8-10)16-6-4-15(5-7-16)9-12(14)17/h1-3,8H,4-7,9H2,(H2,14,17)
InChIKeyPFFZEJRJNHIZRG-UHFFFAOYSA-N
MW253.73 g/mol
LogP0.95
Rot. Bonds3

About 2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide (PubChem CID 895427) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
PubChem CID895427
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H16ClN3O/c13-10-2-1-3-11(8-10)16-6-4-15(5-7-16)9-12(14)17/h1-3,8H,4-7,9H2,(H2,14,17)
InChIKeyPFFZEJRJNHIZRG-UHFFFAOYSA-N
XLogP0.95
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide (CID 895427) is 2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide is NC(=O)CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The InChIKey is PFFZEJRJNHIZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-10-2-1-3-11(8-10)16-6-4-15(5-7-16)9-12(14)17/h1-3,8H,4-7,9H2,(H2,14,17).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide has a molecular weight of 253.73 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 895427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).