1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one

C24H36N2O — CID 56918399

IUPAC1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC2(CC1)CCN(C1Cc3ccccc3C1)CC2
InChIInChI=1S/C24H36N2O/c1-23(2,3)18-22(27)26-14-10-24(11-15-26)8-12-25(13-9-24)21-16-19-6-4-5-7-20(19)17-21/h4-7,21H,8-18H2,1-3H3
InChIKeyWGYHWFLGQKXBPB-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.29
Rot. Bonds2

About 1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one

1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one (PubChem CID 56918399) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one
PubChem CID56918399
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC2(CC1)CCN(C1Cc3ccccc3C1)CC2
InChIInChI=1S/C24H36N2O/c1-23(2,3)18-22(27)26-14-10-24(11-15-26)8-12-25(13-9-24)21-16-19-6-4-5-7-20(19)17-21/h4-7,21H,8-18H2,1-3H3
InChIKeyWGYHWFLGQKXBPB-UHFFFAOYSA-N
XLogP4.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one
CID 166255184
1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride
CID 21151547
1'-(3,3-dimethylbutanoyl)spiro[2,5,6,10b-tetrahydroimidazo[5,1-a]isoquinoline-3,4'-piperidine]-1-one
CID 167745307
tert-butyl 9-(1-phenylmethoxycarbonylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 166095550
1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 118773140
3,3-dimethyl-1-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one
CID 131657875
2-[8-(3,3-dimethylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide
CID 3537703
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90616711
1-[4-(benzenesulfonyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90589120
1-(4-benzhydrylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 52894453
3,3-dimethyl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110803998
3,3-dimethyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873807

Frequently Asked Questions

What is the IUPAC name of 1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one (CID 56918399) is 1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCC2(CC1)CCN(C1Cc3ccccc3C1)CC2.
What is the InChIKey of 1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one?
The InChIKey is WGYHWFLGQKXBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-23(2,3)18-22(27)26-14-10-24(11-15-26)8-12-25(13-9-24)21-16-19-6-4-5-7-20(19)17-21/h4-7,21H,8-18H2,1-3H3.
What are the key properties of 1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one?
1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one has a molecular weight of 368.57 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 56918399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).