[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C19H19N3OS — CID 124967130

IUPAC[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC[C@H](Cc2cccc3ncccc23)C1
InChIInChI=1S/C19H19N3OS/c23-19(18-12-24-13-21-18)22-9-3-4-14(11-22)10-15-5-1-7-17-16(15)6-2-8-20-17/h1-2,5-8,12-14H,3-4,9-11H2/t14-/m1/s1
InChIKeyIQQWNLFAGSLIQD-CQSZACIVSA-N
MW337.45 g/mol
LogP3.79
Rot. Bonds3

About [(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 124967130) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is [(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID124967130
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC[C@H](Cc2cccc3ncccc23)C1
InChIInChI=1S/C19H19N3OS/c23-19(18-12-24-13-21-18)22-9-3-4-14(11-22)10-15-5-1-7-17-16(15)6-2-8-20-17/h1-2,5-8,12-14H,3-4,9-11H2/t14-/m1/s1
InChIKeyIQQWNLFAGSLIQD-CQSZACIVSA-N
XLogP3.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 175652174
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 125024184
(2-methoxy-3-pyridinyl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124982563
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124951283
[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125010829
(3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110149381
[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125010946
(2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 124961035
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 29028808
(1-methylimidazol-4-yl)-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110098868
(1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 125020810
[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
CID 55142865

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 124967130) is [(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC[C@H](Cc2cccc3ncccc23)C1.
What is the InChIKey of [(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is IQQWNLFAGSLIQD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-19(18-12-24-13-21-18)22-9-3-4-14(11-22)10-15-5-1-7-17-16(15)6-2-8-20-17/h1-2,5-8,12-14H,3-4,9-11H2/t14-/m1/s1.
What are the key properties of [(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 337.45 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 124967130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).