2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C16H22ClN3O — CID 1443644

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)N1CCCC1
InChIInChI=1S/C16H22ClN3O/c17-14-3-5-15(6-4-14)19-11-9-18(10-12-19)13-16(21)20-7-1-2-8-20/h3-6H,1-2,7-13H2
InChIKeyYKNIFCHCAGEHSH-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.08
Rot. Bonds3

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 1443644) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID1443644
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)N1CCCC1
InChIInChI=1S/C16H22ClN3O/c17-14-3-5-15(6-4-14)19-11-9-18(10-12-19)13-16(21)20-7-1-2-8-20/h3-6H,1-2,7-13H2
InChIKeyYKNIFCHCAGEHSH-UHFFFAOYSA-N
XLogP2.08
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 1443644) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCN(c2ccc(Cl)cc2)CC1)N1CCCC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is YKNIFCHCAGEHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c17-14-3-5-15(6-4-14)19-11-9-18(10-12-19)13-16(21)20-7-1-2-8-20/h3-6H,1-2,7-13H2.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 307.82 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 1443644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).