1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone

C20H21N5O2 — CID 110085539

IUPAC1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(c2nccnc2-n2ccnc2)CC1
InChIInChI=1S/C20H21N5O2/c26-18(14-27-17-4-2-1-3-5-17)24-11-6-16(7-12-24)19-20(23-9-8-22-19)25-13-10-21-15-25/h1-5,8-10,13,15-16H,6-7,11-12,14H2
InChIKeyVFYFKYUGDLZDRW-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.45
Rot. Bonds5

About 1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone

1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone (PubChem CID 110085539) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone
PubChem CID110085539
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(c2nccnc2-n2ccnc2)CC1
InChIInChI=1S/C20H21N5O2/c26-18(14-27-17-4-2-1-3-5-17)24-11-6-16(7-12-24)19-20(23-9-8-22-19)25-13-10-21-15-25/h1-5,8-10,13,15-16H,6-7,11-12,14H2
InChIKeyVFYFKYUGDLZDRW-UHFFFAOYSA-N
XLogP2.45
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 46974022
N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55632262
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110871172
1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 53146553
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone
CID 96568135
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 95827703
1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 97447825
1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110258426

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone (CID 110085539) is 1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCC(c2nccnc2-n2ccnc2)CC1.
What is the InChIKey of 1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is VFYFKYUGDLZDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-18(14-27-17-4-2-1-3-5-17)24-11-6-16(7-12-24)19-20(23-9-8-22-19)25-13-10-21-15-25/h1-5,8-10,13,15-16H,6-7,11-12,14H2.
What are the key properties of 1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone?
1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 363.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 110085539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).