N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide

C18H24N6O2 — CID 110117445

IUPACN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2nccnc2C2CCN(C(C)=O)CC2)cn1
InChIInChI=1S/C18H24N6O2/c1-3-24-12-15(10-22-24)18(26)21-11-16-17(20-7-6-19-16)14-4-8-23(9-5-14)13(2)25/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,21,26)
InChIKeyAYSBDHQMKYMMFC-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.35
Rot. Bonds5

About N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide

N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide (PubChem CID 110117445) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide
PubChem CID110117445
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2nccnc2C2CCN(C(C)=O)CC2)cn1
InChIInChI=1S/C18H24N6O2/c1-3-24-12-15(10-22-24)18(26)21-11-16-17(20-7-6-19-16)14-4-8-23(9-5-14)13(2)25/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,21,26)
InChIKeyAYSBDHQMKYMMFC-UHFFFAOYSA-N
XLogP1.35
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 110117431
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 110117452
1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175662745
N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
CID 110095684
1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95842023
N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
CID 110095766
1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea
CID 47200172
(2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide
CID 124979644
1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511592
N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
CID 110095660
(1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162749190
1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide
CID 99776064

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide (CID 110117445) is N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)NCc2nccnc2C2CCN(C(C)=O)CC2)cn1.
What is the InChIKey of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide?
The InChIKey is AYSBDHQMKYMMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-3-24-12-15(10-22-24)18(26)21-11-16-17(20-7-6-19-16)14-4-8-23(9-5-14)13(2)25/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,21,26).
What are the key properties of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide?
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 110117445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).