8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C27H39N3O4 — CID 69051881

IUPAC8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccc(C)c1C(=O)N1CCC(N2CCC3(CC2)OC(=O)N(CC2CCCO2)C3C)CC1
InChIInChI=1S/C27H39N3O4/c1-19-6-4-7-20(2)24(19)25(31)29-13-9-22(10-14-29)28-15-11-27(12-16-28)21(3)30(26(32)34-27)18-23-8-5-17-33-23/h4,6-7,21-23H,5,8-18H2,1-3H3
InChIKeyXAXPIIUJIJRNRM-UHFFFAOYSA-N
MW469.63 g/mol
LogP3.76
Rot. Bonds4

About 8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 69051881) has the molecular formula C27H39N3O4 and a molecular weight of 469.63 g/mol. Its IUPAC name is 8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID69051881
Molecular FormulaC27H39N3O4
Molecular Weight469.63 g/mol
Exact Mass469.29
IUPAC Name8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccc(C)c1C(=O)N1CCC(N2CCC3(CC2)OC(=O)N(CC2CCCO2)C3C)CC1
InChIInChI=1S/C27H39N3O4/c1-19-6-4-7-20(2)24(19)25(31)29-13-9-22(10-14-29)28-15-11-27(12-16-28)21(3)30(26(32)34-27)18-23-8-5-17-33-23/h4,6-7,21-23H,5,8-18H2,1-3H3
InChIKeyXAXPIIUJIJRNRM-UHFFFAOYSA-N
XLogP3.76
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

4-butyl-3-[(2,6-difluorophenyl)methyl]-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 157474821
5-(1-aminobutyl)-3-(cyclohexylmethyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 148638788
2-[4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide;2,2,2-trifluoroacetic acid
CID 159728959
5-butyl-3-[cyclohexyl(hydroxy)methyl]-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 87925076
5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(2-fluoroethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
CID 159806459
4-butyl-3-(cyclohexylmethyl)-8-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 157214468
5-butyl-3-(cyclohexylmethyl)-9-(2,6-dimethylbenzoyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 69052247
4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 159142021
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
5-butyl-3-(cyclohexanecarbonyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-[(1-hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;1-[[5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclohexane-1-carbonitrile
CID 87925077
(2,6-difluorophenyl)-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]methanone
CID 95258451
4-butyl-8-[1-(4-ethoxy-2,6-dimethylbenzoyl)piperidin-4-yl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 158521563

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 69051881) is 8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1cccc(C)c1C(=O)N1CCC(N2CCC3(CC2)OC(=O)N(CC2CCCO2)C3C)CC1.
What is the InChIKey of 8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is XAXPIIUJIJRNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O4/c1-19-6-4-7-20(2)24(19)25(31)29-13-9-22(10-14-29)28-15-11-27(12-16-28)21(3)30(26(32)34-27)18-23-8-5-17-33-23/h4,6-7,21-23H,5,8-18H2,1-3H3.
What are the key properties of 8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 469.63 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-methyl-3-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 69051881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).