3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide

C18H26N4O3 — CID 110257660

IUPAC3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide
SMILESCC(=O)N1CCCC(Cc2nccnc2C(=O)NC2CCOCC2)C1
InChIInChI=1S/C18H26N4O3/c1-13(23)22-8-2-3-14(12-22)11-16-17(20-7-6-19-16)18(24)21-15-4-9-25-10-5-15/h6-7,14-15H,2-5,8-12H2,1H3,(H,21,24)
InChIKeyHOUOWVIOZYMMEN-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.19
Rot. Bonds4

About 3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide

3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide (PubChem CID 110257660) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide
PubChem CID110257660
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide
SMILESCC(=O)N1CCCC(Cc2nccnc2C(=O)NC2CCOCC2)C1
InChIInChI=1S/C18H26N4O3/c1-13(23)22-8-2-3-14(12-22)11-16-17(20-7-6-19-16)18(24)21-15-4-9-25-10-5-15/h6-7,14-15H,2-5,8-12H2,1H3,(H,21,24)
InChIKeyHOUOWVIOZYMMEN-UHFFFAOYSA-N
XLogP1.19
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide
CID 110271533
3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide
CID 127248108
1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023202
6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide
CID 110271581
1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961929
3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid
CID 167995771
1-[3-[[3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110100485
1-[(3R)-3-[[3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961794
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124974350
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea
CID 25073596
1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124961591

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide (CID 110257660) is 3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide is CC(=O)N1CCCC(Cc2nccnc2C(=O)NC2CCOCC2)C1.
What is the InChIKey of 3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide?
The InChIKey is HOUOWVIOZYMMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13(23)22-8-2-3-14(12-22)11-16-17(20-7-6-19-16)18(24)21-15-4-9-25-10-5-15/h6-7,14-15H,2-5,8-12H2,1H3,(H,21,24).
What are the key properties of 3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide?
3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 110257660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).