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

C22H23ClN2O — CID 120738147

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
SMILESO=C(C1CC12CCc1ccccc12)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C22H23ClN2O/c23-19-8-4-2-6-16(19)20-14-24-11-12-25(20)21(26)18-13-22(18)10-9-15-5-1-3-7-17(15)22/h1-8,18,20,24H,9-14H2
InChIKeyFLSZDMNRSCPCIO-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.72
Rot. Bonds2

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

[2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone (PubChem CID 120738147) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
PubChem CID120738147
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
SMILESO=C(C1CC12CCc1ccccc12)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C22H23ClN2O/c23-19-8-4-2-6-16(19)20-14-24-11-12-25(20)21(26)18-13-22(18)10-9-15-5-1-3-7-17(15)22/h1-8,18,20,24H,9-14H2
InChIKeyFLSZDMNRSCPCIO-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

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Related Compounds

[2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride
CID 120738402
[2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
CID 120802484
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
(3-piperazin-1-ylpyrrolidin-1-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride
CID 120995510
(2S,5R)-5-[2-(2-chlorophenyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 136589492
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120739774
(2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid
CID 120689782
(2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride
CID 120572403
[2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone
CID 120802046
[2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
CID 120738143

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone (CID 120738147) is [2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone is O=C(C1CC12CCc1ccccc12)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone?
The InChIKey is FLSZDMNRSCPCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c23-19-8-4-2-6-16(19)20-14-24-11-12-25(20)21(26)18-13-22(18)10-9-15-5-1-3-7-17(15)22/h1-8,18,20,24H,9-14H2.
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone?
[2-(2-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-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone is sourced from PubChem (CID 120738147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).