1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one

C25H27N3O2 — CID 162626984

IUPAC1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1cc2ccccc2[nH]1)N1CCCC12CCCN(CCc1ccccc1)C2=O
InChIInChI=1S/C25H27N3O2/c29-23(22-18-20-10-4-5-11-21(20)26-22)28-16-7-14-25(28)13-6-15-27(24(25)30)17-12-19-8-2-1-3-9-19/h1-5,8-11,18,26H,6-7,12-17H2
InChIKeyVDOYSHXPIPDVLP-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.01
Rot. Bonds4

About 1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one

1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162626984) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162626984
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1cc2ccccc2[nH]1)N1CCCC12CCCN(CCc1ccccc1)C2=O
InChIInChI=1S/C25H27N3O2/c29-23(22-18-20-10-4-5-11-21(20)26-22)28-16-7-14-25(28)13-6-15-27(24(25)30)17-12-19-8-2-1-3-9-19/h1-5,8-11,18,26H,6-7,12-17H2
InChIKeyVDOYSHXPIPDVLP-UHFFFAOYSA-N
XLogP4.01
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-imidazole-5-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633803
4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one
CID 29259304
9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163308559
1-(2-cyclopentylacetyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628512
1-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316192
1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634668
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595380
9-benzyl-1-(3-hydroxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 157015677
1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628389
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95718598
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxo-N-(2-phenylethyl)acetamide
CID 29134828

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162626984) is 1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one is O=C(c1cc2ccccc2[nH]1)N1CCCC12CCCN(CCc1ccccc1)C2=O.
What is the InChIKey of 1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is VDOYSHXPIPDVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c29-23(22-18-20-10-4-5-11-21(20)26-22)28-16-7-14-25(28)13-6-15-27(24(25)30)17-12-19-8-2-1-3-9-19/h1-5,8-11,18,26H,6-7,12-17H2.
What are the key properties of 1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 401.51 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162626984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).