3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one

C20H17ClN2O3 — CID 1221111

IUPAC3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one
SMILESO=C(c1cc2ccccc2c(=O)o1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H17ClN2O3/c21-15-5-3-6-16(13-15)22-8-10-23(11-9-22)19(24)18-12-14-4-1-2-7-17(14)20(25)26-18/h1-7,12-13H,8-11H2
InChIKeyJZKWTWSFQGCFIO-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.41
Rot. Bonds2

About 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one

3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one (PubChem CID 1221111) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one
PubChem CID1221111
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one
SMILESO=C(c1cc2ccccc2c(=O)o1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H17ClN2O3/c21-15-5-3-6-16(13-15)22-8-10-23(11-9-22)19(24)18-12-14-4-1-2-7-17(14)20(25)26-18/h1-7,12-13H,8-11H2
InChIKeyJZKWTWSFQGCFIO-UHFFFAOYSA-N
XLogP3.41
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-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-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 38701176
[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9208332
3-(2,6-dimethylmorpholine-4-carbonyl)isochromen-1-one
CID 172882133
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 2683196
3-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]isochromen-1-one
CID 154755476
2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride
CID 45284358
(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 106685249
8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 26696208
[4-(3-chlorophenyl)piperazin-1-yl]-(2-morpholin-4-ylquinolin-4-yl)methanone
CID 6616505
methyl (2S)-6-(1-oxoisochromene-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 124736988

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one (CID 1221111) is 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one is O=C(c1cc2ccccc2c(=O)o1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one?
The InChIKey is JZKWTWSFQGCFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c21-15-5-3-6-16(13-15)22-8-10-23(11-9-22)19(24)18-12-14-4-1-2-7-17(14)20(25)26-18/h1-7,12-13H,8-11H2.
What are the key properties of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one?
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one has a molecular weight of 368.82 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one is sourced from PubChem (CID 1221111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).