8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one

C19H22ClN3O2 — CID 167973827

IUPAC8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC2(CCN(C)C2=O)CC1
InChIInChI=1S/C19H22ClN3O2/c1-12-16(14-11-13(20)3-4-15(14)21-12)17(24)23-9-6-19(7-10-23)5-8-22(2)18(19)25/h3-4,11,21H,5-10H2,1-2H3
InChIKeyUPRRUHIUDLIKPM-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.21
Rot. Bonds1

About 8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one

8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 167973827) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID167973827
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC2(CCN(C)C2=O)CC1
InChIInChI=1S/C19H22ClN3O2/c1-12-16(14-11-13(20)3-4-15(14)21-12)17(24)23-9-6-19(7-10-23)5-8-22(2)18(19)25/h3-4,11,21H,5-10H2,1-2H3
InChIKeyUPRRUHIUDLIKPM-UHFFFAOYSA-N
XLogP3.21
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128988885
(6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone
CID 110849920
(5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 110833669
(5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
CID 72929058
2-(5-chloro-2-methyl-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 113211930
2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one
CID 139012982
4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid
CID 22312003
2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45198082
[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 136539054
1-(5-chloro-3-methyl-1H-indole-2-carbonyl)-4-ethyl-1,4-diazepan-5-one
CID 42439712
3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110611582
6-chloro-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-methyl-1H-quinolin-4-one
CID 5376224

Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 167973827) is 8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one is Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC2(CCN(C)C2=O)CC1.
What is the InChIKey of 8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is UPRRUHIUDLIKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-12-16(14-11-13(20)3-4-15(14)21-12)17(24)23-9-6-19(7-10-23)5-8-22(2)18(19)25/h3-4,11,21H,5-10H2,1-2H3.
What are the key properties of 8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 359.86 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 167973827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).