quinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone

C24H21N3OS — CID 95811068

IUPACquinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2cccc(-c3cccs3)n2)C1
InChIInChI=1S/C24H21N3OS/c28-24(22-13-12-17-6-1-2-8-19(17)26-22)27-14-4-7-18(16-27)20-9-3-10-21(25-20)23-11-5-15-29-23/h1-3,5-6,8-13,15,18H,4,7,14,16H2/t18-/m1/s1
InChIKeyBKEMBWNAJOBDNN-GOSISDBHSA-N
MW399.52 g/mol
LogP5.38
Rot. Bonds3

About quinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone

quinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone (PubChem CID 95811068) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is quinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namequinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone
PubChem CID95811068
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Namequinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2cccc(-c3cccs3)n2)C1
InChIInChI=1S/C24H21N3OS/c28-24(22-13-12-17-6-1-2-8-19(17)26-22)27-14-4-7-18(16-27)20-9-3-10-21(25-20)23-11-5-15-29-23/h1-3,5-6,8-13,15,18H,4,7,14,16H2/t18-/m1/s1
InChIKeyBKEMBWNAJOBDNN-GOSISDBHSA-N
XLogP5.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 110089800
(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 127246090
[(3R)-3-pyrazin-2-ylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 124964601
quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129456481
(3-phenylazepan-1-yl)-quinolin-2-ylmethanone
CID 90608386
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482
1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 16792484
(3R)-1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 30121810
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 124942397
quinolin-2-yl-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 55488062
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
[(3S)-3-hydroxypiperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 107224496

Frequently Asked Questions

What is the IUPAC name of quinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of quinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone (CID 95811068) is quinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for quinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for quinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone is O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2cccc(-c3cccs3)n2)C1.
What is the InChIKey of quinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is BKEMBWNAJOBDNN-GOSISDBHSA-N. The full InChI is InChI=1S/C24H21N3OS/c28-24(22-13-12-17-6-1-2-8-19(17)26-22)27-14-4-7-18(16-27)20-9-3-10-21(25-20)23-11-5-15-29-23/h1-3,5-6,8-13,15,18H,4,7,14,16H2/t18-/m1/s1.
What are the key properties of quinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone?
quinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 399.52 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95811068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).