1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid

C15H23N3O3 — CID 63134677

IUPAC1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)c2cnn(C)c2C)C1
InChIInChI=1S/C15H23N3O3/c1-4-6-15(14(20)21)7-5-8-18(10-15)13(19)12-9-16-17(3)11(12)2/h9H,4-8,10H2,1-3H3,(H,20,21)
InChIKeyMPQYHOXTXNAHME-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.84
Rot. Bonds4

About 1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid

1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 63134677) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID63134677
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)c2cnn(C)c2C)C1
InChIInChI=1S/C15H23N3O3/c1-4-6-15(14(20)21)7-5-8-18(10-15)13(19)12-9-16-17(3)11(12)2/h9H,4-8,10H2,1-3H3,(H,20,21)
InChIKeyMPQYHOXTXNAHME-UHFFFAOYSA-N
XLogP1.84
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138048
1-(2-bromobenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 63134142
1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 106683454
(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017533
1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63850654
(3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 97131360
3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 63138175
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134146
3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-(2,5-dimethylbenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145288

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid (CID 63134677) is 1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)c2cnn(C)c2C)C1.
What is the InChIKey of 1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is MPQYHOXTXNAHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-6-15(14(20)21)7-5-8-18(10-15)13(19)12-9-16-17(3)11(12)2/h9H,4-8,10H2,1-3H3,(H,20,21).
What are the key properties of 1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid?
1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63134677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).