3-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid

C15H21N3O5 — CID 19471175

IUPAC3-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
SMILESCCOC(=O)C1CCN(C(=O)c2cnn(CCC(=O)O)c2)CC1
InChIInChI=1S/C15H21N3O5/c1-2-23-15(22)11-3-6-17(7-4-11)14(21)12-9-16-18(10-12)8-5-13(19)20/h9-11H,2-8H2,1H3,(H,19,20)
InChIKeyVETDIQGYVATOQD-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.77
Rot. Bonds6

About 3-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid

3-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid (PubChem CID 19471175) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
PubChem CID19471175
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name3-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
SMILESCCOC(=O)C1CCN(C(=O)c2cnn(CCC(=O)O)c2)CC1
InChIInChI=1S/C15H21N3O5/c1-2-23-15(22)11-3-6-17(7-4-11)14(21)12-9-16-18(10-12)8-5-13(19)20/h9-11H,2-8H2,1H3,(H,19,20)
InChIKeyVETDIQGYVATOQD-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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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid (CID 19471175) is 3-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid is CCOC(=O)C1CCN(C(=O)c2cnn(CCC(=O)O)c2)CC1.
What is the InChIKey of 3-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid?
The InChIKey is VETDIQGYVATOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-2-23-15(22)11-3-6-17(7-4-11)14(21)12-9-16-18(10-12)8-5-13(19)20/h9-11H,2-8H2,1H3,(H,19,20).
What are the key properties of 3-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid?
3-[4-(4-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-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19471175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).