8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile

C20H25N5O2 — CID 146329690

IUPAC8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
SMILESCC1CN(c2ccc(C#N)c3nccnc23)C[C@H](CN2CCC(O)CC2)O1
InChIInChI=1S/C20H25N5O2/c1-14-11-25(13-17(27-14)12-24-8-4-16(26)5-9-24)18-3-2-15(10-21)19-20(18)23-7-6-22-19/h2-3,6-7,14,16-17,26H,4-5,8-9,11-13H2,1H3/t14?,17-/m0/s1
InChIKeyQIRXNQHUGMUUBO-JRZJBTRGSA-N
MW367.45 g/mol
LogP1.55
Rot. Bonds3

About 8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile

8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile (PubChem CID 146329690) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile.

Molecular Properties

Compound Name8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
PubChem CID146329690
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
SMILESCC1CN(c2ccc(C#N)c3nccnc23)C[C@H](CN2CCC(O)CC2)O1
InChIInChI=1S/C20H25N5O2/c1-14-11-25(13-17(27-14)12-24-8-4-16(26)5-9-24)18-3-2-15(10-21)19-20(18)23-7-6-22-19/h2-3,6-7,14,16-17,26H,4-5,8-9,11-13H2,1H3/t14?,17-/m0/s1
InChIKeyQIRXNQHUGMUUBO-JRZJBTRGSA-N
XLogP1.55
TPSA85.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile?
The IUPAC name of 8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile (CID 146329690) is 8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile.
What is the SMILES notation for 8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile?
The canonical SMILES for 8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile is CC1CN(c2ccc(C#N)c3nccnc23)C[C@H](CN2CCC(O)CC2)O1.
What is the InChIKey of 8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile?
The InChIKey is QIRXNQHUGMUUBO-JRZJBTRGSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14-11-25(13-17(27-14)12-24-8-4-16(26)5-9-24)18-3-2-15(10-21)19-20(18)23-7-6-22-19/h2-3,6-7,14,16-17,26H,4-5,8-9,11-13H2,1H3/t14?,17-/m0/s1.
What are the key properties of 8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile?
8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile has a molecular weight of 367.45 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile is sourced from PubChem (CID 146329690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).