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

C14H23N5O — CID 107162190

IUPAC4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(c2nccn(CCC)c2=O)CC1
InChIInChI=1S/C14H23N5O/c1-3-7-19-10-6-17-11(12(19)20)18-8-4-14(2,5-9-18)13(15)16/h6,10H,3-5,7-9H2,1-2H3,(H3,15,16)
InChIKeyJZOAUHJIWFLKLI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.20
Rot. Bonds4

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

4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide (PubChem CID 107162190) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide
PubChem CID107162190
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(c2nccn(CCC)c2=O)CC1
InChIInChI=1S/C14H23N5O/c1-3-7-19-10-6-17-11(12(19)20)18-8-4-14(2,5-9-18)13(15)16/h6,10H,3-5,7-9H2,1-2H3,(H3,15,16)
InChIKeyJZOAUHJIWFLKLI-UHFFFAOYSA-N
XLogP1.20
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide 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

4-methyl-1-(3-methylpyrazin-2-yl)piperidine-4-carboximidamide
CID 107162294
3-(4-aminopiperidin-1-yl)-1-propylpyrazin-2-one
CID 62939071
3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 63135534
3-piperazin-1-yl-1-propylpyrazin-2-one
CID 62938367
3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propylpyrazin-2-one
CID 63339249
3-[4-(1-bromoethyl)piperidin-1-yl]-1-propylpyrazin-2-one
CID 106838619
3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one
CID 102986648
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide
CID 107162197
3-(4-amino-3-ethylpiperidin-1-yl)-1-propylpyrazin-2-one
CID 81459890
2-[1-(3-oxo-4-propylpyrazin-2-yl)azetidin-3-yl]acetic acid
CID 64618257
3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
CID 55156215
3-[3-(bromomethyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one
CID 80680208

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide?
The IUPAC name of 4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide (CID 107162190) is 4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide.
What is the SMILES notation for 4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide?
The canonical SMILES for 4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(c2nccn(CCC)c2=O)CC1.
What is the InChIKey of 4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide?
The InChIKey is JZOAUHJIWFLKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-7-19-10-6-17-11(12(19)20)18-8-4-14(2,5-9-18)13(15)16/h6,10H,3-5,7-9H2,1-2H3,(H3,15,16).
What are the key properties of 4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide?
4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide is sourced from PubChem (CID 107162190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).