5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

C21H25N5O2 — CID 118007391

IUPAC5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)N2CCC(N)CC2)O1
InChIInChI=1S/C21H25N5O2/c1-14-12-26(13-19(28-14)21(27)25-9-6-16(23)7-10-25)18-5-4-15(11-22)20-17(18)3-2-8-24-20/h2-5,8,14,16,19H,6-7,9-10,12-13,23H2,1H3/t14-,19-/m1/s1
InChIKeyWTYAYGCQQSONNL-AUUYWEPGSA-N
MW379.46 g/mol
LogP1.65
Rot. Bonds2

About 5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 118007391) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
PubChem CID118007391
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)N2CCC(N)CC2)O1
InChIInChI=1S/C21H25N5O2/c1-14-12-26(13-19(28-14)21(27)25-9-6-16(23)7-10-25)18-5-4-15(11-22)20-17(18)3-2-8-24-20/h2-5,8,14,16,19H,6-7,9-10,12-13,23H2,1H3/t14-,19-/m1/s1
InChIKeyWTYAYGCQQSONNL-AUUYWEPGSA-N
XLogP1.65
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 146276284
6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile
CID 44442740
N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-4,6-difluorophenyl]-2-methoxyacetamide
CID 140836951
methyl N-[2-[4-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-cyanophenyl]carbamate
CID 140836965
3-[4-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-difluorophenyl)quinolin-6-yl]benzonitrile
CID 140837146
5-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-4-aminopyridine-3-carbonitrile
CID 146676595
5-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-4-(2-methoxyethylamino)pyridine-3-carbonitrile
CID 146676602
3-[4-[(4aR)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-3-(3,5-difluorophenyl)quinolin-6-yl]-1H-pyrazin-2-one
CID 153295482
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(3S,4R)-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide
CID 118006889
6-Fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002537
US10071974, Example 11
CID 121346612
US10577336, Example 8
CID 121346616

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (CID 118007391) is 5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)N2CCC(N)CC2)O1.
What is the InChIKey of 5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is WTYAYGCQQSONNL-AUUYWEPGSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-12-26(13-19(28-14)21(27)25-9-6-16(23)7-10-25)18-5-4-15(11-22)20-17(18)3-2-8-24-20/h2-5,8,14,16,19H,6-7,9-10,12-13,23H2,1H3/t14-,19-/m1/s1.
What are the key properties of 5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 379.46 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 118007391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).