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

C18H28N4O — CID 109275073

IUPAC[5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1c1cnc(C(=O)N2CCC(C)CC2)cn1
InChIInChI=1S/C18H28N4O/c1-3-15-6-4-5-9-22(15)17-13-19-16(12-20-17)18(23)21-10-7-14(2)8-11-21/h12-15H,3-11H2,1-2H3
InChIKeyGXUJINRPAQDFSA-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.12
Rot. Bonds3

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

[5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109275073) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is [5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109275073
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name[5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1c1cnc(C(=O)N2CCC(C)CC2)cn1
InChIInChI=1S/C18H28N4O/c1-3-15-6-4-5-9-22(15)17-13-19-16(12-20-17)18(23)21-10-7-14(2)8-11-21/h12-15H,3-11H2,1-2H3
InChIKeyGXUJINRPAQDFSA-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 109286263
methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 104696638
N-cyclohexyl-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109274707
5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287769
(4-methylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109275074
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288601
(4-ethylpiperazin-1-yl)-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109275194
5-(2-ethylpiperidin-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280798
5-(2-ethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281326
5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109288675
[4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203690

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 109275073) is [5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone is CCC1CCCCN1c1cnc(C(=O)N2CCC(C)CC2)cn1.
What is the InChIKey of [5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is GXUJINRPAQDFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-3-15-6-4-5-9-22(15)17-13-19-16(12-20-17)18(23)21-10-7-14(2)8-11-21/h12-15H,3-11H2,1-2H3.
What are the key properties of [5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
[5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 316.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109275073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).