1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one

C18H26N2O — CID 97400082

IUPAC1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one
SMILESCC[C@H](C)N1CCC2(CC1)C(=O)N(CC)c1ccccc12
InChIInChI=1S/C18H26N2O/c1-4-14(3)19-12-10-18(11-13-19)15-8-6-7-9-16(15)20(5-2)17(18)21/h6-9,14H,4-5,10-13H2,1-3H3/t14-/m0/s1
InChIKeyJYWURFPMTGAVCV-AWEZNQCLSA-N
MW286.42 g/mol
LogP3.19
Rot. Bonds3

About 1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one

1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 97400082) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one
PubChem CID97400082
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one
SMILESCC[C@H](C)N1CCC2(CC1)C(=O)N(CC)c1ccccc12
InChIInChI=1S/C18H26N2O/c1-4-14(3)19-12-10-18(11-13-19)15-8-6-7-9-16(15)20(5-2)17(18)21/h6-9,14H,4-5,10-13H2,1-3H3/t14-/m0/s1
InChIKeyJYWURFPMTGAVCV-AWEZNQCLSA-N
XLogP3.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-ethylspiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 11615676
1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
CID 91904617
1-ethylspiro[indole-3,3'-pyrrolidine]-2-one
CID 121199787
1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
CID 91904609
1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one
CID 70592105
1-ethyl-1'-(5-methylpyrazolidine-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 134078033
1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one
CID 91904611
1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one
CID 91914391
5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84618269
2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile
CID 97400115
3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224764
5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one
CID 170117340

Frequently Asked Questions

What is the IUPAC name of 1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one (CID 97400082) is 1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one is CC[C@H](C)N1CCC2(CC1)C(=O)N(CC)c1ccccc12.
What is the InChIKey of 1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is JYWURFPMTGAVCV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-14(3)19-12-10-18(11-13-19)15-8-6-7-9-16(15)20(5-2)17(18)21/h6-9,14H,4-5,10-13H2,1-3H3/t14-/m0/s1.
What are the key properties of 1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one?
1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 286.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 97400082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).