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

C18H24ClN3O2 — CID 119754563

IUPAC1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C18H24ClN3O2/c19-16-6-2-1-4-14(16)12-17(23)21-8-10-22(11-9-21)18(24)13-15-5-3-7-20-15/h1-2,4,6,15,20H,3,5,7-13H2
InChIKeyQIDRVQVMZXQCNF-UHFFFAOYSA-N
MW349.86 g/mol
LogP1.70
Rot. Bonds4

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

1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone (PubChem CID 119754563) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone
PubChem CID119754563
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C18H24ClN3O2/c19-16-6-2-1-4-14(16)12-17(23)21-8-10-22(11-9-21)18(24)13-15-5-3-7-20-15/h1-2,4,6,15,20H,3,5,7-13H2
InChIKeyQIDRVQVMZXQCNF-UHFFFAOYSA-N
XLogP1.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560934
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
1-[4-(2-phenylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119838033
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119678798
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119832684
2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 97014148
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-pyrrolidin-2-ylethanone
CID 119839004
2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65449559
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119698792
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119839003

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone (CID 119754563) is 1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone is O=C(Cc1ccccc1Cl)N1CCN(C(=O)CC2CCCN2)CC1.
What is the InChIKey of 1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone?
The InChIKey is QIDRVQVMZXQCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c19-16-6-2-1-4-14(16)12-17(23)21-8-10-22(11-9-21)18(24)13-15-5-3-7-20-15/h1-2,4,6,15,20H,3,5,7-13H2.
What are the key properties of 1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone?
1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone has a molecular weight of 349.86 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 119754563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).