[5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone

C20H25N5O2 — CID 109274408

IUPAC[5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(Nc2ccccc2N2CCOCC2)cn1)N1CCCCC1
InChIInChI=1S/C20H25N5O2/c26-20(25-8-4-1-5-9-25)17-14-22-19(15-21-17)23-16-6-2-3-7-18(16)24-10-12-27-13-11-24/h2-3,6-7,14-15H,1,4-5,8-13H2,(H,22,23)
InChIKeyLDEQKVHTASBOOD-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.68
Rot. Bonds4

About [5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone

[5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 109274408) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
PubChem CID109274408
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(Nc2ccccc2N2CCOCC2)cn1)N1CCCCC1
InChIInChI=1S/C20H25N5O2/c26-20(25-8-4-1-5-9-25)17-14-22-19(15-21-17)23-16-6-2-3-7-18(16)24-10-12-27-13-11-24/h2-3,6-7,14-15H,1,4-5,8-13H2,(H,22,23)
InChIKeyLDEQKVHTASBOOD-UHFFFAOYSA-N
XLogP2.68
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341768
morpholin-4-yl-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]methanone
CID 109153485
[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273606
N-butyl-N-methyl-5-(2-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 109288305
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637
[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273678
morpholin-4-yl-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone
CID 109276540
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648
[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278166
[5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109286673
4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168896
1-[4-[5-(2-methylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279080

Frequently Asked Questions

What is the IUPAC name of [5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone (CID 109274408) is [5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone is O=C(c1cnc(Nc2ccccc2N2CCOCC2)cn1)N1CCCCC1.
What is the InChIKey of [5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is LDEQKVHTASBOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-20(25-8-4-1-5-9-25)17-14-22-19(15-21-17)23-16-6-2-3-7-18(16)24-10-12-27-13-11-24/h2-3,6-7,14-15H,1,4-5,8-13H2,(H,22,23).
What are the key properties of [5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone?
[5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 367.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109274408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).