1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone

C18H20ClN3O2 — CID 110089878

IUPAC1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC(c2nccnc2-c2cccc(Cl)c2)C1
InChIInChI=1S/C18H20ClN3O2/c1-24-12-16(23)22-9-3-5-14(11-22)18-17(20-7-8-21-18)13-4-2-6-15(19)10-13/h2,4,6-8,10,14H,3,5,9,11-12H2,1H3
InChIKeyDTLUMHZYNPSVRM-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.15
Rot. Bonds4

About 1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone

1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 110089878) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
PubChem CID110089878
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC(c2nccnc2-c2cccc(Cl)c2)C1
InChIInChI=1S/C18H20ClN3O2/c1-24-12-16(23)22-9-3-5-14(11-22)18-17(20-7-8-21-18)13-4-2-6-15(19)10-13/h2,4,6-8,10,14H,3,5,9,11-12H2,1H3
InChIKeyDTLUMHZYNPSVRM-UHFFFAOYSA-N
XLogP3.15
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95818946
N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95819324
N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 110254948
N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95819285
2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine
CID 110254777
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone
CID 110254922
(3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95819020
cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819187
1-[3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110255007
[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818963
1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819217
1-[3-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 110266496

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone (CID 110089878) is 1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCCC(c2nccnc2-c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is DTLUMHZYNPSVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-24-12-16(23)22-9-3-5-14(11-22)18-17(20-7-8-21-18)13-4-2-6-15(19)10-13/h2,4,6-8,10,14H,3,5,9,11-12H2,1H3.
What are the key properties of 1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone?
1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 345.83 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 110089878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).