4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one

C18H22ClN3O2 — CID 77090422

IUPAC4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one
SMILESO=C(C1Cc2cc(Cl)ccc2N1)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C18H22ClN3O2/c19-13-5-6-15-12(9-13)10-16(20-15)18(24)21-7-8-22(17(23)11-21)14-3-1-2-4-14/h5-6,9,14,16,20H,1-4,7-8,10-11H2
InChIKeyGLLFPHIWGFJLAP-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.29
Rot. Bonds2

About 4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one

4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one (PubChem CID 77090422) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one
PubChem CID77090422
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one
SMILESO=C(C1Cc2cc(Cl)ccc2N1)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C18H22ClN3O2/c19-13-5-6-15-12(9-13)10-16(20-15)18(24)21-7-8-22(17(23)11-21)14-3-1-2-4-14/h5-6,9,14,16,20H,1-4,7-8,10-11H2
InChIKeyGLLFPHIWGFJLAP-UHFFFAOYSA-N
XLogP2.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-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-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86285127
4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102889006
4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one
CID 77082700
(5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
CID 86285844
methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
CID 21344957
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one
CID 65365974
4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one
CID 110720798
1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one
CID 110720754
4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one
CID 42189233
4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one
CID 45173232
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one?
The IUPAC name of 4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one (CID 77090422) is 4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one.
What is the SMILES notation for 4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one?
The canonical SMILES for 4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one is O=C(C1Cc2cc(Cl)ccc2N1)N1CCN(C2CCCC2)C(=O)C1.
What is the InChIKey of 4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one?
The InChIKey is GLLFPHIWGFJLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c19-13-5-6-15-12(9-13)10-16(20-15)18(24)21-7-8-22(17(23)11-21)14-3-1-2-4-14/h5-6,9,14,16,20H,1-4,7-8,10-11H2.
What are the key properties of 4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one?
4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one has a molecular weight of 347.85 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one is sourced from PubChem (CID 77090422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).