(11-methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone

C14H23N5O2 — CID 131680736

IUPAC(11-methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone
SMILESCN1CCOCC2(CCN(C(=O)c3ncn(C)n3)CC2)C1
InChIInChI=1S/C14H23N5O2/c1-17-7-8-21-10-14(9-17)3-5-19(6-4-14)13(20)12-15-11-18(2)16-12/h11H,3-10H2,1-2H3
InChIKeyCWUPXEGGEAGQMR-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.00
Rot. Bonds1

About (11-methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone

(11-methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone (PubChem CID 131680736) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (11-methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(11-methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone
PubChem CID131680736
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(11-methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone
SMILESCN1CCOCC2(CCN(C(=O)c3ncn(C)n3)CC2)C1
InChIInChI=1S/C14H23N5O2/c1-17-7-8-21-10-14(9-17)3-5-19(6-4-14)13(20)12-15-11-18(2)16-12/h11H,3-10H2,1-2H3
InChIKeyCWUPXEGGEAGQMR-UHFFFAOYSA-N
XLogP-0.00
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(5aR,9aS)-4-ethyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155865235
(11-Methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155865341
(1-Tert-butyl-1,2,4-triazol-3-yl)-(2-cyclopropylmorpholin-4-yl)methanone
CID 128471806
[11-[2-(Dimethylamino)ethyl]-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
CID 129547970
(2-methyl-1,2,4-triazol-3-yl)-[(3S)-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 129549706
(2-methyl-1,2,4-triazol-3-yl)-[(3R)-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 129549709
1-methyl-4-[[(3S)-8-(2-methyl-1,2,4-triazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]piperazin-2-one
CID 129550025
1-methyl-4-[[(3R)-8-(2-methyl-1,2,4-triazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]piperazin-2-one
CID 129550032
[(3R)-3-[[ethyl(methyl)amino]methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone
CID 129550041
[(3S)-3-[[ethyl(methyl)amino]methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone
CID 129550046
(2-methyl-1,2,4-triazol-3-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 129550107
(2-methyl-1,2,4-triazol-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 129550109

Frequently Asked Questions

What is the IUPAC name of (11-methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (11-methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone (CID 131680736) is (11-methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (11-methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (11-methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone is CN1CCOCC2(CCN(C(=O)c3ncn(C)n3)CC2)C1.
What is the InChIKey of (11-methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is CWUPXEGGEAGQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-17-7-8-21-10-14(9-17)3-5-19(6-4-14)13(20)12-15-11-18(2)16-12/h11H,3-10H2,1-2H3.
What are the key properties of (11-methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone?
(11-methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of -0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (11-methyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 131680736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).