[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone

C21H20N4O2 — CID 95822311

IUPAC[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(c2nccnc2Oc2ccccc2)CC1
InChIInChI=1S/C21H20N4O2/c26-21(17-6-10-22-11-7-17)25-14-8-16(9-15-25)19-20(24-13-12-23-19)27-18-4-2-1-3-5-18/h1-7,10-13,16H,8-9,14-15H2
InChIKeyCQXGIQRLVQQEIG-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.68
Rot. Bonds4

About [4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone

[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 95822311) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is [4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID95822311
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(c2nccnc2Oc2ccccc2)CC1
InChIInChI=1S/C21H20N4O2/c26-21(17-6-10-22-11-7-17)25-14-8-16(9-15-25)19-20(24-13-12-23-19)27-18-4-2-1-3-5-18/h1-7,10-13,16H,8-9,14-15H2
InChIKeyCQXGIQRLVQQEIG-UHFFFAOYSA-N
XLogP3.68
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone 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

[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822299
[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822283
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 129458305
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822355
4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid
CID 67425066
2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95823231
[4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110151630
(4-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 95824131
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110151938

Frequently Asked Questions

What is the IUPAC name of [4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 95822311) is [4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC(c2nccnc2Oc2ccccc2)CC1.
What is the InChIKey of [4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is CQXGIQRLVQQEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-21(17-6-10-22-11-7-17)25-14-8-16(9-15-25)19-20(24-13-12-23-19)27-18-4-2-1-3-5-18/h1-7,10-13,16H,8-9,14-15H2.
What are the key properties of [4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 360.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 95822311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).