1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid

C13H19N3O4 — CID 95826381

IUPAC1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
SMILESCOCC(=O)N1CCC(Cn2cc(C(=O)O)cn2)CC1
InChIInChI=1S/C13H19N3O4/c1-20-9-12(17)15-4-2-10(3-5-15)7-16-8-11(6-14-16)13(18)19/h6,8,10H,2-5,7,9H2,1H3,(H,18,19)
InChIKeyZQEFWLKAYYGCFW-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.47
Rot. Bonds5

About 1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid

1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid (PubChem CID 95826381) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
PubChem CID95826381
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
SMILESCOCC(=O)N1CCC(Cn2cc(C(=O)O)cn2)CC1
InChIInChI=1S/C13H19N3O4/c1-20-9-12(17)15-4-2-10(3-5-15)7-16-8-11(6-14-16)13(18)19/h6,8,10H,2-5,7,9H2,1H3,(H,18,19)
InChIKeyZQEFWLKAYYGCFW-UHFFFAOYSA-N
XLogP0.47
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
CID 95826382
1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid
CID 95804209
4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 146381080
1-(thietan-3-ylmethyl)pyrazole-4-carboxylic acid
CID 84668330
4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 174878314
1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622534
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
CID 62727814
4-[1-(cyclopropylmethyl)pyrazol-4-yl]benzoic acid
CID 122555883
1-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63755688
1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 129178233
1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one
CID 65462054
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate
CID 66570485

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid (CID 95826381) is 1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid is COCC(=O)N1CCC(Cn2cc(C(=O)O)cn2)CC1.
What is the InChIKey of 1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid?
The InChIKey is ZQEFWLKAYYGCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-20-9-12(17)15-4-2-10(3-5-15)7-16-8-11(6-14-16)13(18)19/h6,8,10H,2-5,7,9H2,1H3,(H,18,19).
What are the key properties of 1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid?
1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 95826381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).