3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

C18H28N4O2 — CID 135144771

IUPAC3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESCCC1C(N2CCC(c3ccn[nH]3)CC2)CC12CCN(C(=O)O)C2
InChIInChI=1S/C18H28N4O2/c1-2-14-16(11-18(14)6-10-22(12-18)17(23)24)21-8-4-13(5-9-21)15-3-7-19-20-15/h3,7,13-14,16H,2,4-6,8-12H2,1H3,(H,19,20)(H,23,24)
InChIKeyVYPPPMDZJVTSPA-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.76
Rot. Bonds3

About 3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (PubChem CID 135144771) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
PubChem CID135144771
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESCCC1C(N2CCC(c3ccn[nH]3)CC2)CC12CCN(C(=O)O)C2
InChIInChI=1S/C18H28N4O2/c1-2-14-16(11-18(14)6-10-22(12-18)17(23)24)21-8-4-13(5-9-21)15-3-7-19-20-15/h3,7,13-14,16H,2,4-6,8-12H2,1H3,(H,19,20)(H,23,24)
InChIKeyVYPPPMDZJVTSPA-UHFFFAOYSA-N
XLogP2.76
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid with MolForge

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Related Compounds

2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144992
2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-3-ethyl-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155034219
2-[4-[acetyl(2,2-difluoroethyl)amino]piperidin-1-yl]-3-ethyl-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155407789
2-[4-[acetyl-(2-fluoro-2-methylpropyl)amino]piperidin-1-yl]-3-ethyl-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155407818
3-ethyl-2-[4-[(2S)-2-methyl-4-oxoazetidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155034220
3-ethyl-2-[4-(2-methylpropylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 141395780
3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155407873
3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155408224
tert-butyl 4-acetylpiperidine-1-carboxylate;4-(1H-pyrazol-5-yl)piperidine-1-carboxylic acid
CID 139510752
2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 95845969
trans-tert-butyl (1R,3S)-2,2-dimethyl-3-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]cyclopropane-1-carboxylate
CID 99788196
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The IUPAC name of 3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (CID 135144771) is 3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.
What is the SMILES notation for 3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The canonical SMILES for 3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is CCC1C(N2CCC(c3ccn[nH]3)CC2)CC12CCN(C(=O)O)C2.
What is the InChIKey of 3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The InChIKey is VYPPPMDZJVTSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-14-16(11-18(14)6-10-22(12-18)17(23)24)21-8-4-13(5-9-21)15-3-7-19-20-15/h3,7,13-14,16H,2,4-6,8-12H2,1H3,(H,19,20)(H,23,24).
What are the key properties of 3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid has a molecular weight of 332.45 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is sourced from PubChem (CID 135144771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).