(4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone

C20H26N4O — CID 109275097

IUPAC(4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
SMILESCC1CCN(C(=O)c2cnc(Nc3ccccc3C(C)C)cn2)CC1
InChIInChI=1S/C20H26N4O/c1-14(2)16-6-4-5-7-17(16)23-19-13-21-18(12-22-19)20(25)24-10-8-15(3)9-11-24/h4-7,12-15H,8-11H2,1-3H3,(H,22,23)
InChIKeyZTFFMYQRIXNHPS-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.22
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone

(4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone (PubChem CID 109275097) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
PubChem CID109275097
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
SMILESCC1CCN(C(=O)c2cnc(Nc3ccccc3C(C)C)cn2)CC1
InChIInChI=1S/C20H26N4O/c1-14(2)16-6-4-5-7-17(16)23-19-13-21-18(12-22-19)20(25)24-10-8-15(3)9-11-24/h4-7,12-15H,8-11H2,1-3H3,(H,22,23)
InChIKeyZTFFMYQRIXNHPS-UHFFFAOYSA-N
XLogP4.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109299227
2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109290407
[5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275168
4-methyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 108987988
[5-(3,5-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275170
[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278166
1-[4-[5-(2-methylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279080
[5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274363
[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288724
N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109280820
[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273606
(4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone
CID 109183358

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone (CID 109275097) is (4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone is CC1CCN(C(=O)c2cnc(Nc3ccccc3C(C)C)cn2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone?
The InChIKey is ZTFFMYQRIXNHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(2)16-6-4-5-7-17(16)23-19-13-21-18(12-22-19)20(25)24-10-8-15(3)9-11-24/h4-7,12-15H,8-11H2,1-3H3,(H,22,23).
What are the key properties of (4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone?
(4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109275097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).