[(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride

C17H23ClN2O — CID 120634057

IUPAC[(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N2CC3(CC3)c3ccccc32)CCN1.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-12-10-13(6-9-18-12)16(20)19-11-17(7-8-17)14-4-2-3-5-15(14)19;/h2-5,12-13,18H,6-11H2,1H3;1H/t12-,13-;/m0./s1
InChIKeyQMNKYWFKJGEHFP-QNTKWALQSA-N
MW306.84 g/mol
LogP2.87
Rot. Bonds1

About [(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride

[(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride (PubChem CID 120634057) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is [(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride
PubChem CID120634057
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name[(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N2CC3(CC3)c3ccccc32)CCN1.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-12-10-13(6-9-18-12)16(20)19-11-17(7-8-17)14-4-2-3-5-15(14)19;/h2-5,12-13,18H,6-11H2,1H3;1H/t12-,13-;/m0./s1
InChIKeyQMNKYWFKJGEHFP-QNTKWALQSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride with MolForge

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Related Compounds

piperidin-3-yl(spiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
CID 119329090
(9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride
CID 120990522
4-(2-methylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106738692
cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid
CID 124727159
spiro[2H-indole-3,1'-cyclopropane]-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119328064
1,3-dihydroisoindol-2-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631484
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone
CID 124860257
[(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone
CID 124860256
3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one
CID 119791577
(5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120629796
[(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone
CID 99829191
morpholin-2-yl(spiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
CID 119793377

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride?
The IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride (CID 120634057) is [(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride.
What is the SMILES notation for [(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride?
The canonical SMILES for [(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride is C[C@H]1C[C@@H](C(=O)N2CC3(CC3)c3ccccc32)CCN1.Cl.
What is the InChIKey of [(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride?
The InChIKey is QMNKYWFKJGEHFP-QNTKWALQSA-N. The full InChI is InChI=1S/C17H22N2O.ClH/c1-12-10-13(6-9-18-12)16(20)19-11-17(7-8-17)14-4-2-3-5-15(14)19;/h2-5,12-13,18H,6-11H2,1H3;1H/t12-,13-;/m0./s1.
What are the key properties of [(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride?
[(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride is sourced from PubChem (CID 120634057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).