(4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

C16H22N2O2 — CID 97449214

IUPAC(4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)CNCCO3)cc1
InChIInChI=1S/C16H22N2O2/c1-13-2-4-14(5-3-13)15(19)18-9-6-16(7-10-18)12-17-8-11-20-16/h2-5,17H,6-12H2,1H3
InChIKeyGMMNADUOYCQLGZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.59
Rot. Bonds1

About (4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

(4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 97449214) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID97449214
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)CNCCO3)cc1
InChIInChI=1S/C16H22N2O2/c1-13-2-4-14(5-3-13)15(19)18-9-6-16(7-10-18)12-17-8-11-20-16/h2-5,17H,6-12H2,1H3
InChIKeyGMMNADUOYCQLGZ-UHFFFAOYSA-N
XLogP1.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride
CID 155832204
(2,3-dimethyl-1H-indol-5-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 136562206
1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone
CID 121451700
(4-methylphenyl)-[(3S)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97385574
(2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 65462539
2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 163569785
[2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 167800534
2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 145241983
1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone
CID 121451704
(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 79015249
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 97449214) is (4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is Cc1ccc(C(=O)N2CCC3(CC2)CNCCO3)cc1.
What is the InChIKey of (4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is GMMNADUOYCQLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-2-4-14(5-3-13)15(19)18-9-6-16(7-10-18)12-17-8-11-20-16/h2-5,17H,6-12H2,1H3.
What are the key properties of (4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
(4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 97449214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).