3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid

C14H21N3O3 — CID 63135534

IUPAC3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid
SMILESCCCn1ccnc(N2CCCC(C)(C(=O)O)C2)c1=O
InChIInChI=1S/C14H21N3O3/c1-3-7-16-9-6-15-11(12(16)18)17-8-4-5-14(2,10-17)13(19)20/h6,9H,3-5,7-8,10H2,1-2H3,(H,19,20)
InChIKeyVPASJKFPTSELDP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.34
Rot. Bonds4

About 3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid

3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid (PubChem CID 63135534) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid
PubChem CID63135534
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid
SMILESCCCn1ccnc(N2CCCC(C)(C(=O)O)C2)c1=O
InChIInChI=1S/C14H21N3O3/c1-3-7-16-9-6-15-11(12(16)18)17-8-4-5-14(2,10-17)13(19)20/h6,9H,3-5,7-8,10H2,1-2H3,(H,19,20)
InChIKeyVPASJKFPTSELDP-UHFFFAOYSA-N
XLogP1.34
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid
CID 63136027
4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide
CID 107162190
2-[1-(3-oxo-4-propylpyrazin-2-yl)azetidin-3-yl]acetic acid
CID 64618257
3-piperazin-1-yl-1-propylpyrazin-2-one
CID 62938367
3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one
CID 102986648
3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 63136577
3-(4-aminopiperidin-1-yl)-1-propylpyrazin-2-one
CID 62939071
1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166159
3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one
CID 107407490
1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-3-carboxylic acid
CID 63135852
1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 136520233
3-[4-(1-bromoethyl)piperidin-1-yl]-1-propylpyrazin-2-one
CID 106838619

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid (CID 63135534) is 3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid is CCCn1ccnc(N2CCCC(C)(C(=O)O)C2)c1=O.
What is the InChIKey of 3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is VPASJKFPTSELDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-7-16-9-6-15-11(12(16)18)17-8-4-5-14(2,10-17)13(19)20/h6,9H,3-5,7-8,10H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid?
3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63135534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).