ethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

C20H29N3O3 — CID 118294937

IUPACethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
SMILESCCOC(=O)N1CCC2(CC(N3CCC(c4ncccc4O)CC3)C2)C1
InChIInChI=1S/C20H29N3O3/c1-2-26-19(25)23-11-7-20(14-23)12-16(13-20)22-9-5-15(6-10-22)18-17(24)4-3-8-21-18/h3-4,8,15-16,24H,2,5-7,9-14H2,1H3
InChIKeyHPECJEGCQXPHQU-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.98
Rot. Bonds3

About ethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

ethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate (PubChem CID 118294937) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is ethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
PubChem CID118294937
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Nameethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
SMILESCCOC(=O)N1CCC2(CC(N3CCC(c4ncccc4O)CC3)C2)C1
InChIInChI=1S/C20H29N3O3/c1-2-26-19(25)23-11-7-20(14-23)12-16(13-20)22-9-5-15(6-10-22)18-17(24)4-3-8-21-18/h3-4,8,15-16,24H,2,5-7,9-14H2,1H3
InChIKeyHPECJEGCQXPHQU-UHFFFAOYSA-N
XLogP2.98
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate with MolForge

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Related Compounds

ethyl 2-[4-(1,3-thiazol-4-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295215
ethyl 2-[4-(1,5-dimethylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295196
ethyl 2-[4-[1-[2-(methylamino)-2-oxoethyl]imidazol-2-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118294729
ethyl 2-[4-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 148940983
ethyl 2-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295269
ethyl 2-(4-benzylsulfanylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylate
CID 126511819
ethyl 2-(4-ethanimidoylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylate
CID 146626107
ethyl 2-(4-butanoylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylate
CID 140909628
ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295160
ethyl 2-[4-(3,3-difluoropiperidin-1-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118303202
[2-[4-[(6R)-2-ethoxycarbonyl-2-azaspiro[3.4]octan-6-yl]piperazin-1-yl]-3-pyridinyl]boronic acid
CID 171850088
ethyl 6-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849927

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?
The IUPAC name of ethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate (CID 118294937) is ethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate.
What is the SMILES notation for ethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?
The canonical SMILES for ethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate is CCOC(=O)N1CCC2(CC(N3CCC(c4ncccc4O)CC3)C2)C1.
What is the InChIKey of ethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?
The InChIKey is HPECJEGCQXPHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-26-19(25)23-11-7-20(14-23)12-16(13-20)22-9-5-15(6-10-22)18-17(24)4-3-8-21-18/h3-4,8,15-16,24H,2,5-7,9-14H2,1H3.
What are the key properties of ethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?
ethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 118294937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).