3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide

C19H25N3O2S — CID 95708835

IUPAC3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
SMILESCOc1ccccc1-c1ncc(CN2CCC[C@@H](CCC(N)=O)C2)s1
InChIInChI=1S/C19H25N3O2S/c1-24-17-7-3-2-6-16(17)19-21-11-15(25-19)13-22-10-4-5-14(12-22)8-9-18(20)23/h2-3,6-7,11,14H,4-5,8-10,12-13H2,1H3,(H2,20,23)/t14-/m0/s1
InChIKeyHGMZFDOCJRNHQX-AWEZNQCLSA-N
MW359.50 g/mol
LogP3.30
Rot. Bonds7

About 3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide

3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide (PubChem CID 95708835) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
PubChem CID95708835
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
SMILESCOc1ccccc1-c1ncc(CN2CCC[C@@H](CCC(N)=O)C2)s1
InChIInChI=1S/C19H25N3O2S/c1-24-17-7-3-2-6-16(17)19-21-11-15(25-19)13-22-10-4-5-14(12-22)8-9-18(20)23/h2-3,6-7,11,14H,4-5,8-10,12-13H2,1H3,(H2,20,23)/t14-/m0/s1
InChIKeyHGMZFDOCJRNHQX-AWEZNQCLSA-N
XLogP3.30
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876
(3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid
CID 157011246
5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 135119860
(3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide
CID 126447621
3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide
CID 95716606
2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95724370
N-(3-chloro-4-methoxyphenyl)-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
CID 45190861
N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
CID 42465188
3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide
CID 95711145
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82303207
(3S,8aR)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione;formic acid
CID 171322080
[(3aS,7aR)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811415

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide (CID 95708835) is 3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide is COc1ccccc1-c1ncc(CN2CCC[C@@H](CCC(N)=O)C2)s1.
What is the InChIKey of 3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide?
The InChIKey is HGMZFDOCJRNHQX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-24-17-7-3-2-6-16(17)19-21-11-15(25-19)13-22-10-4-5-14(12-22)8-9-18(20)23/h2-3,6-7,11,14H,4-5,8-10,12-13H2,1H3,(H2,20,23)/t14-/m0/s1.
What are the key properties of 3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide?
3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide has a molecular weight of 359.50 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 95708835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).