ethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate

C19H31N3O3 — CID 126526028

IUPACethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCCOC(=O)N1CC2(CC(N3CCC(N4C(=O)CC[C@H]4C)CC3)C2)C1
InChIInChI=1S/C19H31N3O3/c1-3-25-18(24)21-12-19(13-21)10-16(11-19)20-8-6-15(7-9-20)22-14(2)4-5-17(22)23/h14-16H,3-13H2,1-2H3/t14-/m1/s1
InChIKeyAVRKLTUMTKSLCK-CQSZACIVSA-N
MW349.48 g/mol
LogP2.08
Rot. Bonds3

About ethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate

ethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate (PubChem CID 126526028) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is ethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
PubChem CID126526028
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Nameethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCCOC(=O)N1CC2(CC(N3CCC(N4C(=O)CC[C@H]4C)CC3)C2)C1
InChIInChI=1S/C19H31N3O3/c1-3-25-18(24)21-12-19(13-21)10-16(11-19)20-8-6-15(7-9-20)22-14(2)4-5-17(22)23/h14-16H,3-13H2,1-2H3/t14-/m1/s1
InChIKeyAVRKLTUMTKSLCK-CQSZACIVSA-N
XLogP2.08
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate with MolForge

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Related Compounds

ethyl 2-[4-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295134
methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 126526004
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-[(5S)-6-oxo-7-oxa-1-azaspiro[4.4]nonan-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 138542799
ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate
CID 171092521
ethyl 2-(4-ethanimidoylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylate
CID 146626107
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-oxo-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-[4-(2-oxoazetidin-1-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;methane;1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one
CID 160944788
ethyl 2-[4-(3,3-difluoropiperidin-1-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118303202
ethyl 2-(4-butanoylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylate
CID 140909628
ethyl 2-[4-(2-hydroxy-4-methylpiperidin-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 123972083
ethyl 2-[4-(1,5-dimethylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295196

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of ethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate (CID 126526028) is ethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for ethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for ethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate is CCOC(=O)N1CC2(CC(N3CCC(N4C(=O)CC[C@H]4C)CC3)C2)C1.
What is the InChIKey of ethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate?
The InChIKey is AVRKLTUMTKSLCK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-3-25-18(24)21-12-19(13-21)10-16(11-19)20-8-6-15(7-9-20)22-14(2)4-5-17(22)23/h14-16H,3-13H2,1-2H3/t14-/m1/s1.
What are the key properties of ethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate?
ethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate has a molecular weight of 349.48 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 126526028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).