1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone

C17H26N4O2 — CID 110114145

IUPAC1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(CN2CCCC2c2cncc(C)n2)CC1
InChIInChI=1S/C17H26N4O2/c1-13-10-18-11-15(19-13)16-4-3-7-21(16)12-17(23)5-8-20(9-6-17)14(2)22/h10-11,16,23H,3-9,12H2,1-2H3
InChIKeyQOAWYWOICMDTSP-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.30
Rot. Bonds3

About 1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone

1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 110114145) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID110114145
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(CN2CCCC2c2cncc(C)n2)CC1
InChIInChI=1S/C17H26N4O2/c1-13-10-18-11-15(19-13)16-4-3-7-21(16)12-17(23)5-8-20(9-6-17)14(2)22/h10-11,16,23H,3-9,12H2,1-2H3
InChIKeyQOAWYWOICMDTSP-UHFFFAOYSA-N
XLogP1.30
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-hydroxy-4-[[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 124995716
2-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]acetamide
CID 95821390
4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol
CID 124986406
1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 124999609
2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 110096404
2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine
CID 125010299
2-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine
CID 125010300
N-methyl-3-[[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 124965358
2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine
CID 110114099
2-methyl-6-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
CID 125006832
1-[4-[(2-fluorophenyl)methyl]-4-[(3S)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124985154
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 125026523

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone (CID 110114145) is 1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(O)(CN2CCCC2c2cncc(C)n2)CC1.
What is the InChIKey of 1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is QOAWYWOICMDTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-10-18-11-15(19-13)16-4-3-7-21(16)12-17(23)5-8-20(9-6-17)14(2)22/h10-11,16,23H,3-9,12H2,1-2H3.
What are the key properties of 1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone?
1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 318.42 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110114145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).