3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one

C19H26N2O — CID 119791577

IUPAC3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one
SMILESCC(CC(=O)N1CC2(CC2)c2ccccc21)C1CCNCC1
InChIInChI=1S/C19H26N2O/c1-14(15-6-10-20-11-7-15)12-18(22)21-13-19(8-9-19)16-4-2-3-5-17(16)21/h2-5,14-15,20H,6-13H2,1H3
InChIKeyNSOUAQFXEIEGAL-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.09
Rot. Bonds3

About 3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one

3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one (PubChem CID 119791577) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one.

Molecular Properties

Compound Name3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one
PubChem CID119791577
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one
SMILESCC(CC(=O)N1CC2(CC2)c2ccccc21)C1CCNCC1
InChIInChI=1S/C19H26N2O/c1-14(15-6-10-20-11-7-15)12-18(22)21-13-19(8-9-19)16-4-2-3-5-17(16)21/h2-5,14-15,20H,6-13H2,1H3
InChIKeyNSOUAQFXEIEGAL-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one with MolForge

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Related Compounds

1-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-3-piperidin-4-ylbutan-1-one
CID 119738115
2-pyrrolidin-2-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone;hydrochloride
CID 119791586
2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one
CID 57041656
1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one
CID 119768937
[(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride
CID 120634057
2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid
CID 122065639
2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 166229712
4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride
CID 120562983
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119828414
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide
CID 119770278
1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119699761

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one?
The IUPAC name of 3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one (CID 119791577) is 3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one.
What is the SMILES notation for 3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one?
The canonical SMILES for 3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one is CC(CC(=O)N1CC2(CC2)c2ccccc21)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one?
The InChIKey is NSOUAQFXEIEGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-14(15-6-10-20-11-7-15)12-18(22)21-13-19(8-9-19)16-4-2-3-5-17(16)21/h2-5,14-15,20H,6-13H2,1H3.
What are the key properties of 3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one?
3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one has a molecular weight of 298.43 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one is sourced from PubChem (CID 119791577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).