1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid

C15H21N3O3 — CID 63125995

IUPAC1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nccn(C3CC3)c2=O)CC1
InChIInChI=1S/C15H21N3O3/c1-2-15(14(20)21)5-8-17(9-6-15)12-13(19)18(10-7-16-12)11-3-4-11/h7,10-11H,2-6,8-9H2,1H3,(H,20,21)
InChIKeyUVXUDFHCMBFWAE-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.66
Rot. Bonds4

About 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid

1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63125995) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid
PubChem CID63125995
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nccn(C3CC3)c2=O)CC1
InChIInChI=1S/C15H21N3O3/c1-2-15(14(20)21)5-8-17(9-6-15)12-13(19)18(10-7-16-12)11-3-4-11/h7,10-11H,2-6,8-9H2,1H3,(H,20,21)
InChIKeyUVXUDFHCMBFWAE-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid (CID 63125995) is 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(c2nccn(C3CC3)c2=O)CC1.
What is the InChIKey of 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is UVXUDFHCMBFWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-15(14(20)21)5-8-17(9-6-15)12-13(19)18(10-7-16-12)11-3-4-11/h7,10-11H,2-6,8-9H2,1H3,(H,20,21).
What are the key properties of 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid?
1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).