1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone

C22H30N2O2 — CID 70743384

IUPAC1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C22H30N2O2/c1-15-4-5-16(2)21-20(15)18(17(3)23-21)14-19(25)24-10-6-22(7-11-24)8-12-26-13-9-22/h4-5,23H,6-14H2,1-3H3
InChIKeyKXOMCQZVFOOLTK-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.05
Rot. Bonds2

About 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone

1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone (PubChem CID 70743384) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
PubChem CID70743384
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C22H30N2O2/c1-15-4-5-16(2)21-20(15)18(17(3)23-21)14-19(25)24-10-6-22(7-11-24)8-12-26-13-9-22/h4-5,23H,6-14H2,1-3H3
InChIKeyKXOMCQZVFOOLTK-UHFFFAOYSA-N
XLogP4.05
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 72850412
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 77090227
1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 56870900
(3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138806243
3-methylsulfonyl-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 131900495
1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 154565775
1-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 70724365
(3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one
CID 97120229
1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 97130924
4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-one
CID 60675896
(1S,6S,8S)-14-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-2,10,14,17-tetrazapentacyclo[15.6.1.01,8.02,6.018,23]tetracosa-18,20,22-triene-9,24-dione
CID 155915545
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone
CID 110773449

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone (CID 70743384) is 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone is Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCC2(CCOCC2)CC1.
What is the InChIKey of 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone?
The InChIKey is KXOMCQZVFOOLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-15-4-5-16(2)21-20(15)18(17(3)23-21)14-19(25)24-10-6-22(7-11-24)8-12-26-13-9-22/h4-5,23H,6-14H2,1-3H3.
What are the key properties of 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone?
1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone has a molecular weight of 354.49 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 70743384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).