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

C63H90N6O7 — CID 87925190

IUPAC3-benzyl-4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(oxan-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCC1N(CC2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2.CCCCC1N(Cc2ccccc2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2
InChIInChI=1S/C32H43N3O3.C31H47N3O4/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;1-4-5-9-27-31(38-30(36)34(27)22-25-12-20-37-21-13-25)14-18-32(19-15-31)26-10-16-33(17-11-26)29(35)28-23(2)7-6-8-24(28)3/h6-13,27-28H,4-5,14-23H2,1-3H3;6-8,25-27H,4-5,9-22H2,1-3H3
InChIKeyCTIUOKZGTTXXMO-UHFFFAOYSA-N
MW1043.45 g/mol
LogP11.13
Rot. Bonds14

About 3-benzyl-4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(oxan-4-ylmethyl)-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;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(oxan-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 87925190) has the molecular formula C63H90N6O7 and a molecular weight of 1043.45 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;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(oxan-4-ylmethyl)-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;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(oxan-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID87925190
Molecular FormulaC63H90N6O7
Molecular Weight1043.45 g/mol
Exact Mass1042.69
IUPAC Name3-benzyl-4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(oxan-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCC1N(CC2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2.CCCCC1N(Cc2ccccc2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2
InChIInChI=1S/C32H43N3O3.C31H47N3O4/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;1-4-5-9-27-31(38-30(36)34(27)22-25-12-20-37-21-13-25)14-18-32(19-15-31)26-10-16-33(17-11-26)29(35)28-23(2)7-6-8-24(28)3/h6-13,27-28H,4-5,14-23H2,1-3H3;6-8,25-27H,4-5,9-22H2,1-3H3
InChIKeyCTIUOKZGTTXXMO-UHFFFAOYSA-N
XLogP11.13
TPSA115.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.45
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-benzyl-4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(oxan-4-ylmethyl)-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;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(oxan-4-ylmethyl)-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;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(oxan-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 87925190) is 3-benzyl-4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(oxan-4-ylmethyl)-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;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(oxan-4-ylmethyl)-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;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(oxan-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCCC1N(CC2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2.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;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(oxan-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CTIUOKZGTTXXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N3O3.C31H47N3O4/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;1-4-5-9-27-31(38-30(36)34(27)22-25-12-20-37-21-13-25)14-18-32(19-15-31)26-10-16-33(17-11-26)29(35)28-23(2)7-6-8-24(28)3/h6-13,27-28H,4-5,14-23H2,1-3H3;6-8,25-27H,4-5,9-22H2,1-3H3.
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;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(oxan-4-ylmethyl)-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;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(oxan-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 1043.45 g/mol, XLogP of 11.13, 14 rotatable bonds, 0 hydrogen bond donors, and 9 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;4-butyl-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-(oxan-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 87925190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).