3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one

C11H16ClN3O — CID 63392087

IUPAC3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CCCC(Cl)C2)c1=O
InChIInChI=1S/C11H16ClN3O/c1-2-14-7-5-13-10(11(14)16)15-6-3-4-9(12)8-15/h5,7,9H,2-4,6,8H2,1H3
InChIKeyBEZPLWOYAXOHBF-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.47
Rot. Bonds2

About 3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one

3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one (PubChem CID 63392087) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one
PubChem CID63392087
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CCCC(Cl)C2)c1=O
InChIInChI=1S/C11H16ClN3O/c1-2-14-7-5-13-10(11(14)16)15-6-3-4-9(12)8-15/h5,7,9H,2-4,6,8H2,1H3
InChIKeyBEZPLWOYAXOHBF-UHFFFAOYSA-N
XLogP1.47
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one 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-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one
CID 62929242
1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one
CID 63853697
3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one
CID 102986648
1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62939421
1-(4-ethyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid
CID 107070362
3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one
CID 81103547
3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one
CID 133446960
3-[3-(chloromethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 55184247
3-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-ethylpyrazin-2-one
CID 55219868
3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63853331
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one (CID 63392087) is 3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one is CCn1ccnc(N2CCCC(Cl)C2)c1=O.
What is the InChIKey of 3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one?
The InChIKey is BEZPLWOYAXOHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-14-7-5-13-10(11(14)16)15-6-3-4-9(12)8-15/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of 3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one?
3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one has a molecular weight of 241.72 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one is sourced from PubChem (CID 63392087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).