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

C32H43N3O3 — CID 25057602

IUPAC3-benzyl-4-butyl-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/C32H43N3O3/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/h6-13,27-28H,4-5,14-23H2,1-3H3
InChIKeyOVAAQBKFWMSBDM-UHFFFAOYSA-N
MW517.71 g/mol
LogP5.95
Rot. Bonds7

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

3-benzyl-4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 25057602) has the molecular formula C32H43N3O3 and a molecular weight of 517.71 g/mol. Its IUPAC name is 3-benzyl-4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-benzyl-4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID25057602
Molecular FormulaC32H43N3O3
Molecular Weight517.71 g/mol
Exact Mass517.33
IUPAC Name3-benzyl-4-butyl-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/C32H43N3O3/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/h6-13,27-28H,4-5,14-23H2,1-3H3
InChIKeyOVAAQBKFWMSBDM-UHFFFAOYSA-N
XLogP5.95
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.71
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-4-butyl-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

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-benzyl-4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 25057602) is 3-benzyl-4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-benzyl-4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-benzyl-4-butyl-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 3-benzyl-4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OVAAQBKFWMSBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N3O3/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/h6-13,27-28H,4-5,14-23H2,1-3H3.
What are the key properties of 3-benzyl-4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-benzyl-4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 517.71 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 25057602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).