(4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone

C21H28N2O2 — CID 166840060

IUPAC(4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CCC4(CC4)CC3(C)C(C)C)cc12
InChIInChI=1S/C21H28N2O2/c1-14(2)20(3)13-21(8-9-21)10-11-23(20)19(24)17-12-15-16(22-17)6-5-7-18(15)25-4/h5-7,12,14,22H,8-11,13H2,1-4H3
InChIKeySIKDKULGBQOLJN-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.61
Rot. Bonds3

About (4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone

(4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone (PubChem CID 166840060) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone
PubChem CID166840060
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CCC4(CC4)CC3(C)C(C)C)cc12
InChIInChI=1S/C21H28N2O2/c1-14(2)20(3)13-21(8-9-21)10-11-23(20)19(24)17-12-15-16(22-17)6-5-7-18(15)25-4/h5-7,12,14,22H,8-11,13H2,1-4H3
InChIKeySIKDKULGBQOLJN-UHFFFAOYSA-N
XLogP4.61
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone
CID 158732514
(2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone
CID 166749535
(1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone
CID 167076958
(1S,4R,8R)-9-(4-methoxy-1H-indole-2-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 155509049
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 171530353
(6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164694211
[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone
CID 92565758
1H-indol-2-yl-(4-methoxy-1H-indol-2-yl)methanone
CID 11543838
7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155909473

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone?
The IUPAC name of (4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone (CID 166840060) is (4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone.
What is the SMILES notation for (4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone?
The canonical SMILES for (4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone is COc1cccc2[nH]c(C(=O)N3CCC4(CC4)CC3(C)C(C)C)cc12.
What is the InChIKey of (4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone?
The InChIKey is SIKDKULGBQOLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14(2)20(3)13-21(8-9-21)10-11-23(20)19(24)17-12-15-16(22-17)6-5-7-18(15)25-4/h5-7,12,14,22H,8-11,13H2,1-4H3.
What are the key properties of (4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone?
(4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone has a molecular weight of 340.47 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone is sourced from PubChem (CID 166840060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).