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

C32H49N3O3 — CID 46883507

IUPAC4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2
InChIInChI=1S/C32H49N3O3/c1-4-5-14-28-32(38-31(37)35(28)23-26-12-7-6-8-13-26)17-21-33(22-18-32)27-15-19-34(20-16-27)30(36)29-24(2)10-9-11-25(29)3/h9-11,26-28H,4-8,12-23H2,1-3H3
InChIKeyUCDXFDZZQRBDBU-UHFFFAOYSA-N
MW523.76 g/mol
LogP6.33
Rot. Bonds7

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

4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 46883507) has the molecular formula C32H49N3O3 and a molecular weight of 523.76 g/mol. Its IUPAC name is 4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID46883507
Molecular FormulaC32H49N3O3
Molecular Weight523.76 g/mol
Exact Mass523.38
IUPAC Name4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2
InChIInChI=1S/C32H49N3O3/c1-4-5-14-28-32(38-31(37)35(28)23-26-12-7-6-8-13-26)17-21-33(22-18-32)27-15-19-34(20-16-27)30(36)29-24(2)10-9-11-25(29)3/h9-11,26-28H,4-8,12-23H2,1-3H3
InChIKeyUCDXFDZZQRBDBU-UHFFFAOYSA-N
XLogP6.33
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.76
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-methyl-4-piperidyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
CID 46882916
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-{1-[3-(3-Hydroxy-3-methylbutyl)benzoyl]-4-piperidinyl}-1,3-oxazolidin-2-one
CID 70740433
3-[1-[1-(2-Methylbenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134799805

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-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)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 46883507) is 4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-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)piperidin-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)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2.
What is the InChIKey of 4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is UCDXFDZZQRBDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49N3O3/c1-4-5-14-28-32(38-31(37)35(28)23-26-12-7-6-8-13-26)17-21-33(22-18-32)27-15-19-34(20-16-27)30(36)29-24(2)10-9-11-25(29)3/h9-11,26-28H,4-8,12-23H2,1-3H3.
What are the key properties of 4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 523.76 g/mol, XLogP of 6.33, 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)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 46883507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).