[2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone

C22H23ClN2O2 — CID 120802046

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone
SMILESO=C(C1CC12CCOc1ccccc12)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C22H23ClN2O2/c23-16-5-3-4-15(12-16)19-14-24-9-10-25(19)21(26)18-13-22(18)8-11-27-20-7-2-1-6-17(20)22/h1-7,12,18-19,24H,8-11,13-14H2
InChIKeyZTMPKERUXUIRMB-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.55
Rot. Bonds2

About [2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone

[2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone (PubChem CID 120802046) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone
PubChem CID120802046
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone
SMILESO=C(C1CC12CCOc1ccccc12)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C22H23ClN2O2/c23-16-5-3-4-15(12-16)19-14-24-9-10-25(19)21(26)18-13-22(18)8-11-27-20-7-2-1-6-17(20)22/h1-7,12,18-19,24H,8-11,13-14H2
InChIKeyZTMPKERUXUIRMB-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
CID 120802484
[2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride
CID 120738402
[2-(3-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 120802318
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 120802068
[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 120802294
[2-(3-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone;hydrochloride
CID 120803568
[2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120803594
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
[2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
CID 120738147
[2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 120802900
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone (CID 120802046) is [2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone is O=C(C1CC12CCOc1ccccc12)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone?
The InChIKey is ZTMPKERUXUIRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c23-16-5-3-4-15(12-16)19-14-24-9-10-25(19)21(26)18-13-22(18)8-11-27-20-7-2-1-6-17(20)22/h1-7,12,18-19,24H,8-11,13-14H2.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone?
[2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone has a molecular weight of 382.89 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone is sourced from PubChem (CID 120802046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).