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

C18H21N3O5 — CID 56901239

IUPAC4-[3-(furan-2-yl)pyrazol-1-yl]-1-(oxolane-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(C1CCOC1)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)
InChIKeyONQYTAFNNBPKRV-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.58
Rot. Bonds4

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

4-[3-(furan-2-yl)pyrazol-1-yl]-1-(oxolane-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 56901239) 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-(oxolane-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[3-(furan-2-yl)pyrazol-1-yl]-1-(oxolane-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID56901239
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name4-[3-(furan-2-yl)pyrazol-1-yl]-1-(oxolane-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(C1CCOC1)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)
InChIKeyONQYTAFNNBPKRV-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(oxolane-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(oxolane-3-carbonyl)piperidine-4-carboxylic acid (CID 56901239) is 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(oxolane-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(oxolane-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(oxolane-3-carbonyl)piperidine-4-carboxylic acid is O=C(C1CCOC1)N1CCC(C(=O)O)(n2ccc(-c3ccco3)n2)CC1.
What is the InChIKey of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(oxolane-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is ONQYTAFNNBPKRV-UHFFFAOYSA-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).
What are the key properties of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(oxolane-3-carbonyl)piperidine-4-carboxylic acid?
4-[3-(furan-2-yl)pyrazol-1-yl]-1-(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-(oxolane-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56901239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).