(6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C22H30N4O2 — CID 97201864

IUPAC(6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCc1c(C(=O)N2CCN(C)[C@@]3(CCC(=O)N(C)CC3)C2)[nH]c2ccccc12
InChIInChI=1S/C22H30N4O2/c1-4-16-17-7-5-6-8-18(17)23-20(16)21(28)26-14-13-25(3)22(15-26)10-9-19(27)24(2)12-11-22/h5-8,23H,4,9-15H2,1-3H3/t22-/m1/s1
InChIKeyXOUAOBLVGCEYDV-JOCHJYFZSA-N
MW382.51 g/mol
LogP2.50
Rot. Bonds2

About (6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97201864) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97201864
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name(6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCc1c(C(=O)N2CCN(C)[C@@]3(CCC(=O)N(C)CC3)C2)[nH]c2ccccc12
InChIInChI=1S/C22H30N4O2/c1-4-16-17-7-5-6-8-18(17)23-20(16)21(28)26-14-13-25(3)22(15-26)10-9-19(27)24(2)12-11-22/h5-8,23H,4,9-15H2,1-3H3/t22-/m1/s1
InChIKeyXOUAOBLVGCEYDV-JOCHJYFZSA-N
XLogP2.50
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Launch Full Analysis

Related Compounds

(5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 126424547
4-(5-ethoxyfuran-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72850908
1,10-dimethyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72914414
1-methyl-4-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72930165
[4-(3-ethyl-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 50950547
4-(5-chloropyridine-3-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72890290
1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72941343
(6R)-1,10-dimethyl-4-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97193624
(6S)-1,10-dimethyl-4-(4-pyrazol-1-ylbutanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97136319
(6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97201812
(6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97130965
(6R)-10-ethyl-4-(5-methoxyfuran-2-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
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Frequently Asked Questions

What is the IUPAC name of (6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97201864) is (6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CCc1c(C(=O)N2CCN(C)[C@@]3(CCC(=O)N(C)CC3)C2)[nH]c2ccccc12.
What is the InChIKey of (6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is XOUAOBLVGCEYDV-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-4-16-17-7-5-6-8-18(17)23-20(16)21(28)26-14-13-25(3)22(15-26)10-9-19(27)24(2)12-11-22/h5-8,23H,4,9-15H2,1-3H3/t22-/m1/s1.
What are the key properties of (6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 382.51 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97201864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).