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

C18H25ClN2O — CID 119490666

IUPAC[3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride
SMILESCNC1CCCN(C(=O)C2CC23CCc2ccccc23)C1.Cl
InChIInChI=1S/C18H24N2O.ClH/c1-19-14-6-4-10-20(12-14)17(21)16-11-18(16)9-8-13-5-2-3-7-15(13)18;/h2-3,5,7,14,16,19H,4,6,8-12H2,1H3;1H
InChIKeyMZQVIMMMFKGFJF-UHFFFAOYSA-N
MW320.86 g/mol
LogP2.52
Rot. Bonds2

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

[3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride (PubChem CID 119490666) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride
PubChem CID119490666
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name[3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride
SMILESCNC1CCCN(C(=O)C2CC23CCc2ccccc23)C1.Cl
InChIInChI=1S/C18H24N2O.ClH/c1-19-14-6-4-10-20(12-14)17(21)16-11-18(16)9-8-13-5-2-3-7-15(13)18;/h2-3,5,7,14,16,19H,4,6,8-12H2,1H3;1H
InChIKeyMZQVIMMMFKGFJF-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxypiperidin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone
CID 111477051
(3-piperazin-1-ylpyrrolidin-1-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride
CID 120995510
(3S,4S)-4-methyl-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952248
[3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107125909
[3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride
CID 119490657
(3S,4S)-4-methyl-1-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952047
N-piperidin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119426712
(2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid
CID 120689782
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 119488173
1-methyl-5-[3-(methylamino)piperidine-1-carbonyl]-6-phenylpiperidin-2-one;hydrochloride
CID 119490707
N-piperidin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119427333
(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride (CID 119490666) is [3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride is CNC1CCCN(C(=O)C2CC23CCc2ccccc23)C1.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride?
The InChIKey is MZQVIMMMFKGFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O.ClH/c1-19-14-6-4-10-20(12-14)17(21)16-11-18(16)9-8-13-5-2-3-7-15(13)18;/h2-3,5,7,14,16,19H,4,6,8-12H2,1H3;1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride?
[3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride has a molecular weight of 320.86 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride is sourced from PubChem (CID 119490666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).