3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one

C10H12ClN3O — CID 103062148

IUPAC3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one
SMILESO=C1NCCCC1Cc1cnc(Cl)cn1
InChIInChI=1S/C10H12ClN3O/c11-9-6-13-8(5-14-9)4-7-2-1-3-12-10(7)15/h5-7H,1-4H2,(H,12,15)
InChIKeyWNXJQNHVSAMXKG-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.20
Rot. Bonds2

About 3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one

3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one (PubChem CID 103062148) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one
PubChem CID103062148
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one
SMILESO=C1NCCCC1Cc1cnc(Cl)cn1
InChIInChI=1S/C10H12ClN3O/c11-9-6-13-8(5-14-9)4-7-2-1-3-12-10(7)15/h5-7H,1-4H2,(H,12,15)
InChIKeyWNXJQNHVSAMXKG-UHFFFAOYSA-N
XLogP1.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(5-chloropyrazin-2-yl)methyl]piperidin-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-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one
CID 150666174
3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one
CID 104679143
3-[(dimethylamino)methyl]piperidin-2-one
CID 152616281
(3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one
CID 124592994
(3R)-3-[(4-fluorophenyl)methyl]piperidin-2-one
CID 93477738
3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one
CID 143301820
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-2-one
CID 104679197
(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one
CID 124593006
3-[(4-iodophenyl)methyl]piperidin-2-one
CID 104679212
3-(2-pyridin-2-ylethyl)piperidin-2-one
CID 104679210
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-2-one
CID 104679113
3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
CID 104679273

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one?
The IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one (CID 103062148) is 3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one is O=C1NCCCC1Cc1cnc(Cl)cn1.
What is the InChIKey of 3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one?
The InChIKey is WNXJQNHVSAMXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-9-6-13-8(5-14-9)4-7-2-1-3-12-10(7)15/h5-7H,1-4H2,(H,12,15).
What are the key properties of 3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one?
3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one has a molecular weight of 225.68 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one is sourced from PubChem (CID 103062148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).