1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid

C15H20N2O4 — CID 63850654

IUPAC1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)c2cncc(O)c2)C1
InChIInChI=1S/C15H20N2O4/c1-2-4-15(14(20)21)5-3-6-17(10-15)13(19)11-7-12(18)9-16-8-11/h7-9,18H,2-6,10H2,1H3,(H,20,21)
InChIKeyGBFHDMJDEMUOLV-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.89
Rot. Bonds4

About 1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid

1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 63850654) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID63850654
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)c2cncc(O)c2)C1
InChIInChI=1S/C15H20N2O4/c1-2-4-15(14(20)21)5-3-6-17(10-15)13(19)11-7-12(18)9-16-8-11/h7-9,18H,2-6,10H2,1H3,(H,20,21)
InChIKeyGBFHDMJDEMUOLV-UHFFFAOYSA-N
XLogP1.89
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(5-hydroxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 63850482
1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134146
1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138048
1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134677
(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017533
3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 63138175
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 106683454
1-(2-bromobenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 63134142
3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid
CID 70710542
(3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
CID 97119960
1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134169

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid (CID 63850654) is 1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)c2cncc(O)c2)C1.
What is the InChIKey of 1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is GBFHDMJDEMUOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-4-15(14(20)21)5-3-6-17(10-15)13(19)11-7-12(18)9-16-8-11/h7-9,18H,2-6,10H2,1H3,(H,20,21).
What are the key properties of 1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63850654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).