8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile

C24H34N6O — CID 146329141

IUPAC8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
SMILESCCN(CC)C1CCN(C[C@H]2CN(c3ccc(C#N)c4nccnc34)C[C@@H](C)O2)CC1
InChIInChI=1S/C24H34N6O/c1-4-29(5-2)20-8-12-28(13-9-20)16-21-17-30(15-18(3)31-21)22-7-6-19(14-25)23-24(22)27-11-10-26-23/h6-7,10-11,18,20-21H,4-5,8-9,12-13,15-17H2,1-3H3/t18-,21+/m1/s1
InChIKeyDKESJTYPQQAFJC-NQIIRXRSSA-N
MW422.58 g/mol
LogP2.90
Rot. Bonds6

About 8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile

8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile (PubChem CID 146329141) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile.

Molecular Properties

Compound Name8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
PubChem CID146329141
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
SMILESCCN(CC)C1CCN(C[C@H]2CN(c3ccc(C#N)c4nccnc34)C[C@@H](C)O2)CC1
InChIInChI=1S/C24H34N6O/c1-4-29(5-2)20-8-12-28(13-9-20)16-21-17-30(15-18(3)31-21)22-7-6-19(14-25)23-24(22)27-11-10-26-23/h6-7,10-11,18,20-21H,4-5,8-9,12-13,15-17H2,1-3H3/t18-,21+/m1/s1
InChIKeyDKESJTYPQQAFJC-NQIIRXRSSA-N
XLogP2.90
TPSA68.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile?
The IUPAC name of 8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile (CID 146329141) is 8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile.
What is the SMILES notation for 8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile?
The canonical SMILES for 8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile is CCN(CC)C1CCN(C[C@H]2CN(c3ccc(C#N)c4nccnc34)C[C@@H](C)O2)CC1.
What is the InChIKey of 8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile?
The InChIKey is DKESJTYPQQAFJC-NQIIRXRSSA-N. The full InChI is InChI=1S/C24H34N6O/c1-4-29(5-2)20-8-12-28(13-9-20)16-21-17-30(15-18(3)31-21)22-7-6-19(14-25)23-24(22)27-11-10-26-23/h6-7,10-11,18,20-21H,4-5,8-9,12-13,15-17H2,1-3H3/t18-,21+/m1/s1.
What are the key properties of 8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile?
8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile has a molecular weight of 422.58 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile is sourced from PubChem (CID 146329141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).