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

C19H30N4O2 — CID 118295270

IUPACethyl 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
SMILESCCOC(=O)N1CCC2(CC(N3CCC(c4ccnn4C)CC3)C2)C1
InChIInChI=1S/C19H30N4O2/c1-3-25-18(24)23-11-7-19(14-23)12-16(13-19)22-9-5-15(6-10-22)17-4-8-20-21(17)2/h4,8,15-16H,3,5-7,9-14H2,1-2H3
InChIKeyHEJAEKBVOZHTRA-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.61
Rot. Bonds3

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

ethyl 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate (PubChem CID 118295270) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is ethyl 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
PubChem CID118295270
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Nameethyl 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
SMILESCCOC(=O)N1CCC2(CC(N3CCC(c4ccnn4C)CC3)C2)C1
InChIInChI=1S/C19H30N4O2/c1-3-25-18(24)23-11-7-19(14-23)12-16(13-19)22-9-5-15(6-10-22)17-4-8-20-21(17)2/h4,8,15-16H,3,5-7,9-14H2,1-2H3
InChIKeyHEJAEKBVOZHTRA-UHFFFAOYSA-N
XLogP2.61
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

US10030012, Example 79
CID 78318386
US10030012, Example 14
CID 78318804
US10030012, Example 20
CID 78318868
tert-Butyl 4-(1-methyl-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 91604925
Tert-butyl 4-[1-[[1-(cyanomethyl)cyclopropyl]methyl]pyrazol-3-yl]piperidine-1-carboxylate
CID 132389504
Tert-butyl 1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 153332941
Tert-butyl 4-[2-(4,6-difluorocyclohexa-2,4-dien-1-yl)pyrazol-3-yl]-3-methylpiperidine-1-carboxylate
CID 163700883
Tert-butyl 4,4-difluoro-3-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 164584625
2-(1-Methylpyrazol-3-yl)-1-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155865297
7-(2-methoxyethyl)-2-[3-(1-methyl-1H-pyrazol-5-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72838273
3-(2-Methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid
CID 68312868
3-(2-Methylpyrazol-3-yl)piperidine-1-carboxylic acid
CID 68312951

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?
The IUPAC name of ethyl 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate (CID 118295270) is ethyl 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate.
What is the SMILES notation for ethyl 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?
The canonical SMILES for ethyl 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate is CCOC(=O)N1CCC2(CC(N3CCC(c4ccnn4C)CC3)C2)C1.
What is the InChIKey of ethyl 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?
The InChIKey is HEJAEKBVOZHTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-25-18(24)23-11-7-19(14-23)12-16(13-19)22-9-5-15(6-10-22)17-4-8-20-21(17)2/h4,8,15-16H,3,5-7,9-14H2,1-2H3.
What are the key properties of ethyl 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?
ethyl 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate has a molecular weight of 346.48 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 118295270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).