methyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate

C23H30N2O5 — CID 15982932

IUPACmethyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(C(=O)C3CCC(OC)CC3)CC2)c2ccccc21
InChIInChI=1S/C23H30N2O5/c1-29-17-9-7-16(8-10-17)21(27)24-13-11-23(12-14-24)18-5-3-4-6-19(18)25(22(23)28)15-20(26)30-2/h3-6,16-17H,7-15H2,1-2H3
InChIKeyMNBXOKUKNQUBOM-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.27
Rot. Bonds4

About methyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate

methyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate (PubChem CID 15982932) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is methyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
PubChem CID15982932
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Namemethyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(C(=O)C3CCC(OC)CC3)CC2)c2ccccc21
InChIInChI=1S/C23H30N2O5/c1-29-17-9-7-16(8-10-17)21(27)24-13-11-23(12-14-24)18-5-3-4-6-19(18)25(22(23)28)15-20(26)30-2/h3-6,16-17H,7-15H2,1-2H3
InChIKeyMNBXOKUKNQUBOM-UHFFFAOYSA-N
XLogP2.27
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The IUPAC name of methyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate (CID 15982932) is methyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate.
What is the SMILES notation for methyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The canonical SMILES for methyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate is COC(=O)CN1C(=O)C2(CCN(C(=O)C3CCC(OC)CC3)CC2)c2ccccc21.
What is the InChIKey of methyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The InChIKey is MNBXOKUKNQUBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-29-17-9-7-16(8-10-17)21(27)24-13-11-23(12-14-24)18-5-3-4-6-19(18)25(22(23)28)15-20(26)30-2/h3-6,16-17H,7-15H2,1-2H3.
What are the key properties of methyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
methyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate has a molecular weight of 414.50 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1'-(4-methoxycyclohexanecarbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate is sourced from PubChem (CID 15982932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).