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

C19H24N2O3 — CID 15983063

IUPACmethyl 2-[1'-(cyclopropylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(CC3CC3)CC2)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-24-17(22)13-21-16-5-3-2-4-15(16)19(18(21)23)8-10-20(11-9-19)12-14-6-7-14/h2-5,14H,6-13H2,1H3
InChIKeyFNAPUUOMTUXUGT-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.95
Rot. Bonds4

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

methyl 2-[1'-(cyclopropylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate (PubChem CID 15983063) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is methyl 2-[1'-(cyclopropylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1'-(cyclopropylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
PubChem CID15983063
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namemethyl 2-[1'-(cyclopropylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(CC3CC3)CC2)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-24-17(22)13-21-16-5-3-2-4-15(16)19(18(21)23)8-10-20(11-9-19)12-14-6-7-14/h2-5,14H,6-13H2,1H3
InChIKeyFNAPUUOMTUXUGT-UHFFFAOYSA-N
XLogP1.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1'-(cyclopropylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The IUPAC name of methyl 2-[1'-(cyclopropylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate (CID 15983063) is methyl 2-[1'-(cyclopropylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate.
What is the SMILES notation for methyl 2-[1'-(cyclopropylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The canonical SMILES for methyl 2-[1'-(cyclopropylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate is COC(=O)CN1C(=O)C2(CCN(CC3CC3)CC2)c2ccccc21.
What is the InChIKey of methyl 2-[1'-(cyclopropylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The InChIKey is FNAPUUOMTUXUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-24-17(22)13-21-16-5-3-2-4-15(16)19(18(21)23)8-10-20(11-9-19)12-14-6-7-14/h2-5,14H,6-13H2,1H3.
What are the key properties of methyl 2-[1'-(cyclopropylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
methyl 2-[1'-(cyclopropylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate has a molecular weight of 328.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1'-(cyclopropylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate is sourced from PubChem (CID 15983063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).