3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid

C15H21N3O3 — CID 70710542

IUPAC3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)Cc2cnccn2)C1
InChIInChI=1S/C15H21N3O3/c1-2-4-15(14(20)21)5-3-8-18(11-15)13(19)9-12-10-16-6-7-17-12/h6-7,10H,2-5,8-9,11H2,1H3,(H,20,21)
InChIKeyUPFRFVUYGBWMNZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.51
Rot. Bonds5

About 3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid

3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid (PubChem CID 70710542) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid
PubChem CID70710542
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)Cc2cnccn2)C1
InChIInChI=1S/C15H21N3O3/c1-2-4-15(14(20)21)5-3-8-18(11-15)13(19)9-12-10-16-6-7-17-12/h6-7,10H,2-5,8-9,11H2,1H3,(H,20,21)
InChIKeyUPFRFVUYGBWMNZ-UHFFFAOYSA-N
XLogP1.51
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63145188
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
CID 97144655
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
3-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 63134195
1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63850654
3-propyl-1-[2-(triazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 115348165
(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-(3-amino-3-methylbutanoyl)-3-propylpiperidine-3-carboxylic acid
CID 64676856
2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72860043
3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 79139700

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid (CID 70710542) is 3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)Cc2cnccn2)C1.
What is the InChIKey of 3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid?
The InChIKey is UPFRFVUYGBWMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-4-15(14(20)21)5-3-8-18(11-15)13(19)9-12-10-16-6-7-17-12/h6-7,10H,2-5,8-9,11H2,1H3,(H,20,21).
What are the key properties of 3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid?
3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 70710542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).