1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid

C14H19N3O5 — CID 19502855

IUPAC1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid
SMILESCCOC(=O)C1CCCN(C(=O)Cn2cc(C(=O)O)cn2)C1
InChIInChI=1S/C14H19N3O5/c1-2-22-14(21)10-4-3-5-16(7-10)12(18)9-17-8-11(6-15-17)13(19)20/h6,8,10H,2-5,7,9H2,1H3,(H,19,20)
InChIKeyAMHLPPVIEICHHN-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.38
Rot. Bonds5

About 1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid

1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid (PubChem CID 19502855) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is 1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid
PubChem CID19502855
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid
SMILESCCOC(=O)C1CCCN(C(=O)Cn2cc(C(=O)O)cn2)C1
InChIInChI=1S/C14H19N3O5/c1-2-22-14(21)10-4-3-5-16(7-10)12(18)9-17-8-11(6-15-17)13(19)20/h6,8,10H,2-5,7,9H2,1H3,(H,19,20)
InChIKeyAMHLPPVIEICHHN-UHFFFAOYSA-N
XLogP0.38
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43409437
ethyl 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-3-carboxylate
CID 115458921
ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43406985
ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate
CID 61118509
ethyl 1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperidine-3-carboxylate
CID 42924083
2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone
CID 102955084
2-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19494067
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate
CID 55409239
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
CID 110689806
ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
CID 78782540
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid (CID 19502855) is 1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid is CCOC(=O)C1CCCN(C(=O)Cn2cc(C(=O)O)cn2)C1.
What is the InChIKey of 1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid?
The InChIKey is AMHLPPVIEICHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-2-22-14(21)10-4-3-5-16(7-10)12(18)9-17-8-11(6-15-17)13(19)20/h6,8,10H,2-5,7,9H2,1H3,(H,19,20).
What are the key properties of 1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid?
1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19502855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).