5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

C30H38N8O — CID 156702824

IUPAC5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CCN(c3cccc(N4CCC(N)CC4)n3)CC2)O1
InChIInChI=1S/C30H38N8O/c1-22-19-38(27-8-7-23(18-31)30-26(27)4-3-11-33-30)21-25(39-22)20-35-14-16-37(17-15-35)29-6-2-5-28(34-29)36-12-9-24(32)10-13-36/h2-8,11,22,24-25H,9-10,12-17,19-21,32H2,1H3/t22-,25+/m1/s1
InChIKeyHPRBTXSNBVCQLL-RDGATRHJSA-N
MW526.69 g/mol
LogP2.84
Rot. Bonds5

About 5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 156702824) has the molecular formula C30H38N8O and a molecular weight of 526.69 g/mol. Its IUPAC name is 5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
PubChem CID156702824
Molecular FormulaC30H38N8O
Molecular Weight526.69 g/mol
Exact Mass526.32
IUPAC Name5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CCN(c3cccc(N4CCC(N)CC4)n3)CC2)O1
InChIInChI=1S/C30H38N8O/c1-22-19-38(27-8-7-23(18-31)30-26(27)4-3-11-33-30)21-25(39-22)20-35-14-16-37(17-15-35)29-6-2-5-28(34-29)36-12-9-24(32)10-13-36/h2-8,11,22,24-25H,9-10,12-17,19-21,32H2,1H3/t22-,25+/m1/s1
InChIKeyHPRBTXSNBVCQLL-RDGATRHJSA-N
XLogP2.84
TPSA97.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.69
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile with MolForge

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Related Compounds

5-[(2S,6R)-2-[[4-[6-[(3R)-3-amino-4-methoxypyrrolidin-1-yl]-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 162500943
5-[(2S,6R)-2-[[4-[2-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 156702799
5-[(2R,6R)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007152
5-[(2S,6R)-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006976
5-[(2R,6R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007077
5-[(2R,6R)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118006463
5-[(2S,6R)-2-[[4-[2-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 156702725
5-[(2R,6S)-2-methyl-6-(piperazin-1-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118007081
5-[(2R,6S)-2-methyl-6-[[(3R)-3-methylpyrrolidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007164
5-[2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 146275769
5-[(2S,6R)-2-[(4-acetylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007242
5-[(2S,6R)-2-[(4-cyclohexylpiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007161

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (CID 156702824) is 5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CCN(c3cccc(N4CCC(N)CC4)n3)CC2)O1.
What is the InChIKey of 5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is HPRBTXSNBVCQLL-RDGATRHJSA-N. The full InChI is InChI=1S/C30H38N8O/c1-22-19-38(27-8-7-23(18-31)30-26(27)4-3-11-33-30)21-25(39-22)20-35-14-16-37(17-15-35)29-6-2-5-28(34-29)36-12-9-24(32)10-13-36/h2-8,11,22,24-25H,9-10,12-17,19-21,32H2,1H3/t22-,25+/m1/s1.
What are the key properties of 5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 526.69 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 156702824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).