3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione

C24H31N3O4 — CID 172589997

IUPAC3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
SMILESCC1CCC(N2CCC(c3ccc4c(c3)oc(=O)n4C3CCC(=O)NC3=O)CC2)CC1
InChIInChI=1S/C24H31N3O4/c1-15-2-5-18(6-3-15)26-12-10-16(11-13-26)17-4-7-19-21(14-17)31-24(30)27(19)20-8-9-22(28)25-23(20)29/h4,7,14-16,18,20H,2-3,5-6,8-13H2,1H3,(H,25,28,29)
InChIKeyXSSCBFHAFXGUJR-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.33
Rot. Bonds3

About 3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione

3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione (PubChem CID 172589997) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
PubChem CID172589997
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
SMILESCC1CCC(N2CCC(c3ccc4c(c3)oc(=O)n4C3CCC(=O)NC3=O)CC2)CC1
InChIInChI=1S/C24H31N3O4/c1-15-2-5-18(6-3-15)26-12-10-16(11-13-26)17-4-7-19-21(14-17)31-24(30)27(19)20-8-9-22(28)25-23(20)29/h4,7,14-16,18,20H,2-3,5-6,8-13H2,1H3,(H,25,28,29)
InChIKeyXSSCBFHAFXGUJR-UHFFFAOYSA-N
XLogP3.33
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172592649
3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155484473
3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 170777922
3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 156858542
(3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen
CID 163252926
3-[6-[1-[3-[4-[[5-(difluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 178017667
2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 167594496
3-[6-(1-cyclohexylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide
CID 172590178
tert-butyl (E)-3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]prop-2-enoate
CID 177301843
3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 155405525
4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde
CID 156798922
3-[3-(oxan-4-yl)-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl]piperidine-2,6-dione
CID 167470969

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione (CID 172589997) is 3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione is CC1CCC(N2CCC(c3ccc4c(c3)oc(=O)n4C3CCC(=O)NC3=O)CC2)CC1.
What is the InChIKey of 3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione?
The InChIKey is XSSCBFHAFXGUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-15-2-5-18(6-3-15)26-12-10-16(11-13-26)17-4-7-19-21(14-17)31-24(30)27(19)20-8-9-22(28)25-23(20)29/h4,7,14-16,18,20H,2-3,5-6,8-13H2,1H3,(H,25,28,29).
What are the key properties of 3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione?
3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione has a molecular weight of 425.53 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 172589997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).