[2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone

C22H23ClN2O — CID 120802484

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
SMILESO=C(C1CC12CCc1ccccc12)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C22H23ClN2O/c23-17-6-3-5-16(12-17)20-14-24-10-11-25(20)21(26)19-13-22(19)9-8-15-4-1-2-7-18(15)22/h1-7,12,19-20,24H,8-11,13-14H2
InChIKeyFPSYBDGDCYVTSE-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.72
Rot. Bonds2

About [2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone

[2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone (PubChem CID 120802484) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
PubChem CID120802484
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
SMILESO=C(C1CC12CCc1ccccc12)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C22H23ClN2O/c23-17-6-3-5-16(12-17)20-14-24-10-11-25(20)21(26)19-13-22(19)9-8-15-4-1-2-7-18(15)22/h1-7,12,19-20,24H,8-11,13-14H2
InChIKeyFPSYBDGDCYVTSE-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone with MolForge

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Related Compounds

[2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone
CID 120802046
[2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
CID 120738147
[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 120802294
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120802104
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120802103
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
(4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one
CID 120803117

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone (CID 120802484) is [2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone is O=C(C1CC12CCc1ccccc12)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone?
The InChIKey is FPSYBDGDCYVTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c23-17-6-3-5-16(12-17)20-14-24-10-11-25(20)21(26)19-13-22(19)9-8-15-4-1-2-7-18(15)22/h1-7,12,19-20,24H,8-11,13-14H2.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone?
[2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone has a molecular weight of 366.89 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone is sourced from PubChem (CID 120802484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).