4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid

C18H21N3O5 — CID 95874973

IUPAC4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid
SMILESO=C([C@@H]1CCOC1)N1CCC(C(=O)O)(n2ccc(-c3ccco3)n2)CC1
InChIInChI=1S/C18H21N3O5/c22-16(13-4-11-25-12-13)20-8-5-18(6-9-20,17(23)24)21-7-3-14(19-21)15-2-1-10-26-15/h1-3,7,10,13H,4-6,8-9,11-12H2,(H,23,24)/t13-/m1/s1
InChIKeyONQYTAFNNBPKRV-CYBMUJFWSA-N
MW359.38 g/mol
LogP1.58
Rot. Bonds4

About 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid

4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid (PubChem CID 95874973) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid
PubChem CID95874973
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid
SMILESO=C([C@@H]1CCOC1)N1CCC(C(=O)O)(n2ccc(-c3ccco3)n2)CC1
InChIInChI=1S/C18H21N3O5/c22-16(13-4-11-25-12-13)20-8-5-18(6-9-20,17(23)24)21-7-3-14(19-21)15-2-1-10-26-15/h1-3,7,10,13H,4-6,8-9,11-12H2,(H,23,24)/t13-/m1/s1
InChIKeyONQYTAFNNBPKRV-CYBMUJFWSA-N
XLogP1.58
TPSA97.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-1,4-dioxane-2-carbonyl]-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid
CID 95866570
4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 56897994
4-[3-(furan-2-yl)pyrazol-1-yl]-1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid
CID 70726800
4-[3-(furan-2-yl)pyrazol-1-yl]-1-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 70708436
1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid
CID 95880890
1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134072393
oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 131641140
[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 45202488
8-(oxolane-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131650236
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95894763
1-[(1R)-cyclohex-3-ene-1-carbonyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 95888744
(4R,5S)-2-methyl-7-[(3S)-oxolane-3-carbonyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98777017

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid (CID 95874973) is 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid is O=C([C@@H]1CCOC1)N1CCC(C(=O)O)(n2ccc(-c3ccco3)n2)CC1.
What is the InChIKey of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is ONQYTAFNNBPKRV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O5/c22-16(13-4-11-25-12-13)20-8-5-18(6-9-20,17(23)24)21-7-3-14(19-21)15-2-1-10-26-15/h1-3,7,10,13H,4-6,8-9,11-12H2,(H,23,24)/t13-/m1/s1.
What are the key properties of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid?
4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 359.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 95874973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).