1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone

C16H22N2O — CID 121451700

IUPAC1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CCCN3)CC2)cc1
InChIInChI=1S/C16H22N2O/c1-13-3-5-14(6-4-13)15(19)18-11-8-16(9-12-18)7-2-10-17-16/h3-6,17H,2,7-12H2,1H3
InChIKeyZWXAFACUELKPSP-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.35
Rot. Bonds1

About 1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone

1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone (PubChem CID 121451700) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Name1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone
PubChem CID121451700
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CCCN3)CC2)cc1
InChIInChI=1S/C16H22N2O/c1-13-3-5-14(6-4-13)15(19)18-11-8-16(9-12-18)7-2-10-17-16/h3-6,17H,2,7-12H2,1H3
InChIKeyZWXAFACUELKPSP-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone
CID 138702406
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(4-methylphenyl)methanone
CID 135099408
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 79015249
(4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97449214
N-(4-methylphenyl)-4-(2-oxo-1,7-diazaspiro[3.5]nonane-7-carbonyl)benzenesulfonamide
CID 51127963
(4-methylphenyl)-piperazin-4-ium-1-ylmethanone
CID 7016653
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102

Frequently Asked Questions

What is the IUPAC name of 1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone?
The IUPAC name of 1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone (CID 121451700) is 1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone.
What is the SMILES notation for 1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone?
The canonical SMILES for 1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC3(CCCN3)CC2)cc1.
What is the InChIKey of 1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone?
The InChIKey is ZWXAFACUELKPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-3-5-14(6-4-13)15(19)18-11-8-16(9-12-18)7-2-10-17-16/h3-6,17H,2,7-12H2,1H3.
What are the key properties of 1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone?
1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone has a molecular weight of 258.36 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone is sourced from PubChem (CID 121451700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).