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

C20H28ClN3O — CID 120995510

IUPAC(3-piperazin-1-ylpyrrolidin-1-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride
SMILESCl.O=C(C1CC12CCc1ccccc12)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C20H27N3O.ClH/c24-19(23-10-6-16(14-23)22-11-8-21-9-12-22)18-13-20(18)7-5-15-3-1-2-4-17(15)20;/h1-4,16,18,21H,5-14H2;1H
InChIKeyAIQAOHKHHYIZFR-UHFFFAOYSA-N
MW361.92 g/mol
LogP1.82
Rot. Bonds2

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

(3-piperazin-1-ylpyrrolidin-1-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride (PubChem CID 120995510) has the molecular formula C20H28ClN3O and a molecular weight of 361.92 g/mol. Its IUPAC name is (3-piperazin-1-ylpyrrolidin-1-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3-piperazin-1-ylpyrrolidin-1-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride
PubChem CID120995510
Molecular FormulaC20H28ClN3O
Molecular Weight361.92 g/mol
Exact Mass361.19
IUPAC Name(3-piperazin-1-ylpyrrolidin-1-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride
SMILESCl.O=C(C1CC12CCc1ccccc12)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C20H27N3O.ClH/c24-19(23-10-6-16(14-23)22-11-8-21-9-12-22)18-13-20(18)7-5-15-3-1-2-4-17(15)20;/h1-4,16,18,21H,5-14H2;1H
InChIKeyAIQAOHKHHYIZFR-UHFFFAOYSA-N
XLogP1.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride
CID 119490666
(3-hydroxypiperidin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone
CID 111477051
3,4-dihydro-1H-isothiochromen-1-yl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996029
[2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
CID 120738147
2,3-dihydro-1-benzofuran-2-yl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996147
(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994311
(3S,4S)-4-methyl-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952248
(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996455
[2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
CID 120802484
(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996210
(2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride
CID 120572403
3-(2,5-dihydropyrrol-1-yl)-N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)pyrrolidine-1-carboxamide
CID 86769564

Frequently Asked Questions

What is the IUPAC name of (3-piperazin-1-ylpyrrolidin-1-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride?
The IUPAC name of (3-piperazin-1-ylpyrrolidin-1-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride (CID 120995510) is (3-piperazin-1-ylpyrrolidin-1-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride.
What is the SMILES notation for (3-piperazin-1-ylpyrrolidin-1-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride?
The canonical SMILES for (3-piperazin-1-ylpyrrolidin-1-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride is Cl.O=C(C1CC12CCc1ccccc12)N1CCC(N2CCNCC2)C1.
What is the InChIKey of (3-piperazin-1-ylpyrrolidin-1-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride?
The InChIKey is AIQAOHKHHYIZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O.ClH/c24-19(23-10-6-16(14-23)22-11-8-21-9-12-22)18-13-20(18)7-5-15-3-1-2-4-17(15)20;/h1-4,16,18,21H,5-14H2;1H.
What are the key properties of (3-piperazin-1-ylpyrrolidin-1-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride?
(3-piperazin-1-ylpyrrolidin-1-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride has a molecular weight of 361.92 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperazin-1-ylpyrrolidin-1-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride is sourced from PubChem (CID 120995510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).