5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile

C19H24N4O — CID 121411625

IUPAC5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile
SMILESCOCCN[C@@H]1C[C@H](C)CN(c2ccc(C#N)c3ncccc23)C1
InChIInChI=1S/C19H24N4O/c1-14-10-16(21-8-9-24-2)13-23(12-14)18-6-5-15(11-20)19-17(18)4-3-7-22-19/h3-7,14,16,21H,8-10,12-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyGHANVXHUGKFIAO-GOEBONIOSA-N
MW324.43 g/mol
LogP2.56
Rot. Bonds5

About 5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile

5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile (PubChem CID 121411625) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile
PubChem CID121411625
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile
SMILESCOCCN[C@@H]1C[C@H](C)CN(c2ccc(C#N)c3ncccc23)C1
InChIInChI=1S/C19H24N4O/c1-14-10-16(21-8-9-24-2)13-23(12-14)18-6-5-15(11-20)19-17(18)4-3-7-22-19/h3-7,14,16,21H,8-10,12-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyGHANVXHUGKFIAO-GOEBONIOSA-N
XLogP2.56
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile
CID 121411610
2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide
CID 121411666
5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile
CID 118026028
(2S)-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxy-3-methylbutanamide
CID 121411608
N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118026003
3-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]butanamide
CID 121411574
8-[(3S,5R)-3-(2-methoxyethylamino)-5-(trifluoromethyl)piperidin-1-yl]quinoxaline-5-carbonitrile
CID 129240583
(2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
CID 121411655
(2R)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3-phenylpropanamide
CID 121411692
N-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]ethyl]methanesulfonamide
CID 146329643
2-methoxyethyl 2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate
CID 146229462
N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide
CID 121411624

Frequently Asked Questions

What is the IUPAC name of 5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile (CID 121411625) is 5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile is COCCN[C@@H]1C[C@H](C)CN(c2ccc(C#N)c3ncccc23)C1.
What is the InChIKey of 5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile?
The InChIKey is GHANVXHUGKFIAO-GOEBONIOSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-10-16(21-8-9-24-2)13-23(12-14)18-6-5-15(11-20)19-17(18)4-3-7-22-19/h3-7,14,16,21H,8-10,12-13H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of 5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile?
5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 121411625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).