[5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone

C18H22N4O — CID 109274357

IUPAC[5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESCCN(c1ccccc1)c1cnc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C18H22N4O/c1-2-22(15-9-5-3-6-10-15)17-14-19-16(13-20-17)18(23)21-11-7-4-8-12-21/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3
InChIKeyBZODYJXQZJKHIT-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.26
Rot. Bonds4

About [5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone

[5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 109274357) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
PubChem CID109274357
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESCCN(c1ccccc1)c1cnc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C18H22N4O/c1-2-22(15-9-5-3-6-10-15)17-14-19-16(13-20-17)18(23)21-11-7-4-8-12-21/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3
InChIKeyBZODYJXQZJKHIT-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112719
[5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274289
[2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249997
5-(N-ethylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288920
5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 117213082
4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116999
(2-ethylpiperidin-1-yl)-[5-(N-methylanilino)pyrazin-2-yl]methanone
CID 109288501
(4-benzylpiperidin-1-yl)-[5-(N-methylanilino)pyrazin-2-yl]methanone
CID 109288466
N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide
CID 109291780
[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367085
[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204542
5-(N-ethylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109291797

Frequently Asked Questions

What is the IUPAC name of [5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone (CID 109274357) is [5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone is CCN(c1ccccc1)c1cnc(C(=O)N2CCCCC2)cn1.
What is the InChIKey of [5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is BZODYJXQZJKHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-22(15-9-5-3-6-10-15)17-14-19-16(13-20-17)18(23)21-11-7-4-8-12-21/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3.
What are the key properties of [5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone?
[5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 310.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109274357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).