1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone

C12H16ClN3O — CID 95804488

IUPAC1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](Cc2cncc(Cl)n2)C1
InChIInChI=1S/C12H16ClN3O/c1-9(17)16-4-2-3-10(8-16)5-11-6-14-7-12(13)15-11/h6-7,10H,2-5,8H2,1H3/t10-/m0/s1
InChIKeySCDNWTSNAYXAIN-JTQLQIEISA-N
MW253.73 g/mol
LogP1.93
Rot. Bonds2

About 1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone

1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 95804488) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
PubChem CID95804488
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](Cc2cncc(Cl)n2)C1
InChIInChI=1S/C12H16ClN3O/c1-9(17)16-4-2-3-10(8-16)5-11-6-14-7-12(13)15-11/h6-7,10H,2-5,8H2,1H3/t10-/m0/s1
InChIKeySCDNWTSNAYXAIN-JTQLQIEISA-N
XLogP1.93
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110255816
1-[3-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110257663
1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820901
1-[3-[(6-pyridin-3-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110257442
2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804526
1-[(3R)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124970434
1-[(3R)-3-[(6-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95804473
2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine
CID 147281471
1-[(3R)-3-[[5-(propan-2-ylamino)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95846503
2-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyrazin-2-yl]-4-fluorobenzoic acid
CID 125020327
1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95846939
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone (CID 95804488) is 1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](Cc2cncc(Cl)n2)C1.
What is the InChIKey of 1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is SCDNWTSNAYXAIN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-9(17)16-4-2-3-10(8-16)5-11-6-14-7-12(13)15-11/h6-7,10H,2-5,8H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 253.73 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95804488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).