3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid

C15H21N3O5 — CID 19491999

IUPAC3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
SMILESCCOC(=O)C1CCCN(C(=O)c2ccnn2CCC(=O)O)C1
InChIInChI=1S/C15H21N3O5/c1-2-23-15(22)11-4-3-8-17(10-11)14(21)12-5-7-16-18(12)9-6-13(19)20/h5,7,11H,2-4,6,8-10H2,1H3,(H,19,20)
InChIKeyMATBJVHBUQAKPG-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.77
Rot. Bonds6

About 3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid

3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid (PubChem CID 19491999) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
PubChem CID19491999
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
SMILESCCOC(=O)C1CCCN(C(=O)c2ccnn2CCC(=O)O)C1
InChIInChI=1S/C15H21N3O5/c1-2-23-15(22)11-4-3-8-17(10-11)14(21)12-5-7-16-18(12)9-6-13(19)20/h5,7,11H,2-4,6,8-10H2,1H3,(H,19,20)
InChIKeyMATBJVHBUQAKPG-UHFFFAOYSA-N
XLogP0.77
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19494067
ethyl 1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 43664914
ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103511701
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 81344401
ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 35763507
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 43409185
ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate
CID 103873858
ethyl (3S)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 115535626
ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103803360
ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
CID 106688676

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid (CID 19491999) is 3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid is CCOC(=O)C1CCCN(C(=O)c2ccnn2CCC(=O)O)C1.
What is the InChIKey of 3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid?
The InChIKey is MATBJVHBUQAKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-2-23-15(22)11-4-3-8-17(10-11)14(21)12-5-7-16-18(12)9-6-13(19)20/h5,7,11H,2-4,6,8-10H2,1H3,(H,19,20).
What are the key properties of 3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid?
3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid has a molecular weight of 323.35 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19491999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).