(2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C19H24N2O2S — CID 95779114

IUPAC(2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)cc1
InChIInChI=1S/C19H24N2O2S/c1-13-12-24-18(20-13)16-5-4-10-21(11-16)19(22)14(2)15-6-8-17(23-3)9-7-15/h6-9,12,14,16H,4-5,10-11H2,1-3H3/t14-,16+/m0/s1
InChIKeyGVQKFRYGSVWDCZ-GOEBONIOSA-N
MW344.48 g/mol
LogP3.97
Rot. Bonds4

About (2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

(2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 95779114) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID95779114
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name(2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)cc1
InChIInChI=1S/C19H24N2O2S/c1-13-12-24-18(20-13)16-5-4-10-21(11-16)19(22)14(2)15-6-8-17(23-3)9-7-15/h6-9,12,14,16H,4-5,10-11H2,1-3H3/t14-,16+/m0/s1
InChIKeyGVQKFRYGSVWDCZ-GOEBONIOSA-N
XLogP3.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119873380
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
(1-aminocyclohexyl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119873411
4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119183715
2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402873
(3-methylfuran-2-yl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768617
1-(3-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119378452
[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95779008
4-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]benzoic acid
CID 129470154
6-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propan-2-yl-4,5-dihydropyridazin-3-one
CID 95779097
1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95778905
[3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95779039

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 95779114) is (2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is COc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is GVQKFRYGSVWDCZ-GOEBONIOSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-12-24-18(20-13)16-5-4-10-21(11-16)19(22)14(2)15-6-8-17(23-3)9-7-15/h6-9,12,14,16H,4-5,10-11H2,1-3H3/t14-,16+/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
(2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 344.48 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95779114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).