(5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C21H27N3O2 — CID 97118729

IUPAC(5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCC[C@]2(CCN(C(=O)c3cccc4c3ccn4C)C2)C1=O
InChIInChI=1S/C21H27N3O2/c1-15(2)24-11-5-9-21(20(24)26)10-13-23(14-21)19(25)17-6-4-7-18-16(17)8-12-22(18)3/h4,6-8,12,15H,5,9-11,13-14H2,1-3H3/t21-/m1/s1
InChIKeyHDKYMBAQVKSKJZ-OAQYLSRUSA-N
MW353.47 g/mol
LogP3.04
Rot. Bonds2

About (5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97118729) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97118729
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCC[C@]2(CCN(C(=O)c3cccc4c3ccn4C)C2)C1=O
InChIInChI=1S/C21H27N3O2/c1-15(2)24-11-5-9-21(20(24)26)10-13-23(14-21)19(25)17-6-4-7-18-16(17)8-12-22(18)3/h4,6-8,12,15H,5,9-11,13-14H2,1-3H3/t21-/m1/s1
InChIKeyHDKYMBAQVKSKJZ-OAQYLSRUSA-N
XLogP3.04
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

2-(2-methyl-1H-pyrrole-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72847802
3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256600
2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72851128
(6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164695097
(5S)-2-(4-phenoxybutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97122223
(5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97149053
(5R)-7-propan-2-yl-2-(3-prop-2-enoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148863
7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72924434
7-methyl-2-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56741799
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone
CID 71879331
2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72898379
(5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97125136

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 97118729) is (5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCC[C@]2(CCN(C(=O)c3cccc4c3ccn4C)C2)C1=O.
What is the InChIKey of (5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HDKYMBAQVKSKJZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)24-11-5-9-21(20(24)26)10-13-23(14-21)19(25)17-6-4-7-18-16(17)8-12-22(18)3/h4,6-8,12,15H,5,9-11,13-14H2,1-3H3/t21-/m1/s1.
What are the key properties of (5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 353.47 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97118729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).