1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid

C17H27N3O4 — CID 72847481

IUPAC1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(C(=O)CCc2c(C)n[nH]c2C)C1
InChIInChI=1S/C17H27N3O4/c1-12-14(13(2)19-18-12)5-6-15(21)20-9-4-7-17(11-20,16(22)23)8-10-24-3/h4-11H2,1-3H3,(H,18,19)(H,22,23)
InChIKeyUIDVJRCHJUPGAA-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.69
Rot. Bonds7

About 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid

1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid (PubChem CID 72847481) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
PubChem CID72847481
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(C(=O)CCc2c(C)n[nH]c2C)C1
InChIInChI=1S/C17H27N3O4/c1-12-14(13(2)19-18-12)5-6-15(21)20-9-4-7-17(11-20,16(22)23)8-10-24-3/h4-11H2,1-3H3,(H,18,19)(H,22,23)
InChIKeyUIDVJRCHJUPGAA-UHFFFAOYSA-N
XLogP1.69
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid (CID 72847481) is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid is COCCC1(C(=O)O)CCCN(C(=O)CCc2c(C)n[nH]c2C)C1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid?
The InChIKey is UIDVJRCHJUPGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-12-14(13(2)19-18-12)5-6-15(21)20-9-4-7-17(11-20,16(22)23)8-10-24-3/h4-11H2,1-3H3,(H,18,19)(H,22,23).
What are the key properties of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid?
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 72847481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).