ethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate

C19H24N2O5 — CID 27276916

IUPACethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CN2C(=O)C3(OCCO3)c3ccccc32)C1
InChIInChI=1S/C19H24N2O5/c1-2-24-17(22)14-6-5-9-20(12-14)13-21-16-8-4-3-7-15(16)19(18(21)23)25-10-11-26-19/h3-4,7-8,14H,2,5-6,9-13H2,1H3/t14-/m0/s1
InChIKeyWLEISVODVXJSMV-AWEZNQCLSA-N
MW360.41 g/mol
LogP1.47
Rot. Bonds4

About ethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate

ethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate (PubChem CID 27276916) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate
PubChem CID27276916
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Nameethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CN2C(=O)C3(OCCO3)c3ccccc32)C1
InChIInChI=1S/C19H24N2O5/c1-2-24-17(22)14-6-5-9-20(12-14)13-21-16-8-4-3-7-15(16)19(18(21)23)25-10-11-26-19/h3-4,7-8,14H,2,5-6,9-13H2,1H3/t14-/m0/s1
InChIKeyWLEISVODVXJSMV-AWEZNQCLSA-N
XLogP1.47
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[(5,5-dimethyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)methyl]piperidine-4-carboxylate
CID 1202162
ethyl 1-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]piperidine-3-carboxylate
CID 2999198
ethyl 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]piperidine-3-carboxylate
CID 67767181
1'-[[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 92695816
ethyl 1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperidine-3-carboxylate
CID 4031806
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
methyl (4S)-6-[[(3R)-3-ethoxycarbonylpiperidin-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 95184118
methyl 6-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 51366428
ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate
CID 2838593
ethyl (3R)-1-[3-(10,12-dihydrobenzo[b][1,5]benzoxazocin-11-yl)propyl]piperidine-3-carboxylate
CID 70203449
(3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one
CID 748064
ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532808

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate (CID 27276916) is ethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(CN2C(=O)C3(OCCO3)c3ccccc32)C1.
What is the InChIKey of ethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate?
The InChIKey is WLEISVODVXJSMV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-2-24-17(22)14-6-5-9-20(12-14)13-21-16-8-4-3-7-15(16)19(18(21)23)25-10-11-26-19/h3-4,7-8,14H,2,5-6,9-13H2,1H3/t14-/m0/s1.
What are the key properties of ethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate?
ethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 27276916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).