4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C33H51N3O3 — CID 46882916

IUPAC4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)cccc3C)CC1)CC2
InChIInChI=1S/C33H51N3O3/c1-5-6-15-28-33(39-31(38)36(28)24-27-13-8-7-9-14-27)18-22-35(23-19-33)32(4)16-20-34(21-17-32)30(37)29-25(2)11-10-12-26(29)3/h10-12,27-28H,5-9,13-24H2,1-4H3
InChIKeyFRWMBAREYKAXIM-UHFFFAOYSA-N
MW537.79 g/mol
LogP6.72
Rot. Bonds7

About 4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 46882916) has the molecular formula C33H51N3O3 and a molecular weight of 537.79 g/mol. Its IUPAC name is 4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID46882916
Molecular FormulaC33H51N3O3
Molecular Weight537.79 g/mol
Exact Mass537.39
IUPAC Name4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)cccc3C)CC1)CC2
InChIInChI=1S/C33H51N3O3/c1-5-6-15-28-33(39-31(38)36(28)24-27-13-8-7-9-14-27)18-22-35(23-19-33)32(4)16-20-34(21-17-32)30(37)29-25(2)11-10-12-26(29)3/h10-12,27-28H,5-9,13-24H2,1-4H3
InChIKeyFRWMBAREYKAXIM-UHFFFAOYSA-N
XLogP6.72
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.79
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

N-benzyl-N-[1-[1-(2,6-dimethylbenzoyl)-4-methyl-4-piperidyl]-4-piperidyl]cyclopropanecarboxamide
CID 44590440
7-Butyl-3-[1-(2,6-dimethylbenzoyl)-4-piperidyl]-9-(tetrahydropyran-4-ylmethyl)-11-oxa-3,9-diazaspiro[5.5]undecan-10-one
CID 11215950
5-Butyl-3-(cyclohexylmethyl)-9-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 11433740
2-Benzyl-1-butyl-8-[1-(2,6-dimethylbenzoyl)-4-piperidyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
CID 25057602
3-(Cyclohexylmethyl)-8-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)-4-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 25057877
1-Butyl-2-(cyclohexylmethyl)-8-[1-(2-methylbenzoyl)-4-piperidyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
CID 46882871
1-Butyl-2-(cyclopentylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-piperidyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
CID 46882872
1-Butyl-8-[1-(2,6-dimethylbenzoyl)-4-piperidyl]-2-(tetrahydropyran-4-ylmethyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one
CID 46882873
1-Butyl-2-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-piperidyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
CID 46883507
9-[3,5-Bis(trifluoromethyl)benzoyl]-5-phenyl-3-(3-pyrrolidin-1-ylpropyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 10304086
N-benzyl-N-[(1S,5R)-8-[1-(2,6-dimethylbenzoyl)-4-piperidyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide
CID 44590393
3-Benzyl-8-(4-fluorobenzoyl)-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134806630

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 46882916) is 4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)cccc3C)CC1)CC2.
What is the InChIKey of 4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FRWMBAREYKAXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51N3O3/c1-5-6-15-28-33(39-31(38)36(28)24-27-13-8-7-9-14-27)18-22-35(23-19-33)32(4)16-20-34(21-17-32)30(37)29-25(2)11-10-12-26(29)3/h10-12,27-28H,5-9,13-24H2,1-4H3.
What are the key properties of 4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 537.79 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 46882916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).