4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one

C21H32ClN3O2 — CID 110423196

IUPAC4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one
SMILESCCN(CC)CCC(=O)N1CCN(C(=O)CCCc2ccccc2Cl)CC1
InChIInChI=1S/C21H32ClN3O2/c1-3-23(4-2)13-12-21(27)25-16-14-24(15-17-25)20(26)11-7-9-18-8-5-6-10-19(18)22/h5-6,8,10H,3-4,7,9,11-17H2,1-2H3
InChIKeyUIMRWHDDEDUZLB-UHFFFAOYSA-N
MW393.96 g/mol
LogP3.07
Rot. Bonds9

About 4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one

4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one (PubChem CID 110423196) has the molecular formula C21H32ClN3O2 and a molecular weight of 393.96 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one
PubChem CID110423196
Molecular FormulaC21H32ClN3O2
Molecular Weight393.96 g/mol
Exact Mass393.22
IUPAC Name4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one
SMILESCCN(CC)CCC(=O)N1CCN(C(=O)CCCc2ccccc2Cl)CC1
InChIInChI=1S/C21H32ClN3O2/c1-3-23(4-2)13-12-21(27)25-16-14-24(15-17-25)20(26)11-7-9-18-8-5-6-10-19(18)22/h5-6,8,10H,3-4,7,9,11-17H2,1-2H3
InChIKeyUIMRWHDDEDUZLB-UHFFFAOYSA-N
XLogP3.07
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one 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

4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83924216
7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155511120
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110611618
1-[4-[2-(2-chlorophenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797231
1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile
CID 110409909
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one
CID 110611599
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110617956
3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 51252212
phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate
CID 110603452
1-[4-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperazin-1-yl]-3-(diethylamino)propan-1-one
CID 58450115
3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 94719688
3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78905113

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one (CID 110423196) is 4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one is CCN(CC)CCC(=O)N1CCN(C(=O)CCCc2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one?
The InChIKey is UIMRWHDDEDUZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClN3O2/c1-3-23(4-2)13-12-21(27)25-16-14-24(15-17-25)20(26)11-7-9-18-8-5-6-10-19(18)22/h5-6,8,10H,3-4,7,9,11-17H2,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one?
4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one has a molecular weight of 393.96 g/mol, XLogP of 3.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110423196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).