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

C22H30N2O3 — CID 15983062

IUPACmethyl 2-[1'-(cyclohexylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(CC3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C22H30N2O3/c1-27-20(25)16-24-19-10-6-5-9-18(19)22(21(24)26)11-13-23(14-12-22)15-17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3
InChIKeyXFHYENOGWKYKLE-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.12
Rot. Bonds4

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

methyl 2-[1'-(cyclohexylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate (PubChem CID 15983062) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is methyl 2-[1'-(cyclohexylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1'-(cyclohexylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
PubChem CID15983062
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Namemethyl 2-[1'-(cyclohexylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(CC3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C22H30N2O3/c1-27-20(25)16-24-19-10-6-5-9-18(19)22(21(24)26)11-13-23(14-12-22)15-17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3
InChIKeyXFHYENOGWKYKLE-UHFFFAOYSA-N
XLogP3.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1'-(cyclohexylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The IUPAC name of methyl 2-[1'-(cyclohexylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate (CID 15983062) is methyl 2-[1'-(cyclohexylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate.
What is the SMILES notation for methyl 2-[1'-(cyclohexylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The canonical SMILES for methyl 2-[1'-(cyclohexylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate is COC(=O)CN1C(=O)C2(CCN(CC3CCCCC3)CC2)c2ccccc21.
What is the InChIKey of methyl 2-[1'-(cyclohexylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The InChIKey is XFHYENOGWKYKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-27-20(25)16-24-19-10-6-5-9-18(19)22(21(24)26)11-13-23(14-12-22)15-17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3.
What are the key properties of methyl 2-[1'-(cyclohexylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
methyl 2-[1'-(cyclohexylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate has a molecular weight of 370.49 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1'-(cyclohexylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate is sourced from PubChem (CID 15983062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).