(3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one

C18H23N3O2S — CID 97103214

IUPAC(3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one
SMILESCOc1cccc(N2CCC[C@@H](N[C@H](C)c3cnc(C)s3)C2=O)c1
InChIInChI=1S/C18H23N3O2S/c1-12(17-11-19-13(2)24-17)20-16-8-5-9-21(18(16)22)14-6-4-7-15(10-14)23-3/h4,6-7,10-12,16,20H,5,8-9H2,1-3H3/t12-,16-/m1/s1
InChIKeyLHDUYGZUAUHKCE-MLGOLLRUSA-N
MW345.47 g/mol
LogP3.31
Rot. Bonds5

About (3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one

(3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one (PubChem CID 97103214) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one
PubChem CID97103214
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one
SMILESCOc1cccc(N2CCC[C@@H](N[C@H](C)c3cnc(C)s3)C2=O)c1
InChIInChI=1S/C18H23N3O2S/c1-12(17-11-19-13(2)24-17)20-16-8-5-9-21(18(16)22)14-6-4-7-15(10-14)23-3/h4,6-7,10-12,16,20H,5,8-9H2,1-3H3/t12-,16-/m1/s1
InChIKeyLHDUYGZUAUHKCE-MLGOLLRUSA-N
XLogP3.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one with MolForge

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Related Compounds

(3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one
CID 99643162
3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 71870045
1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one
CID 133372898
1-(3-bromo-5-methoxyphenyl)-3-(propan-2-ylamino)piperidin-2-one
CID 82860337
1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one
CID 138042379
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 81373632
(3S)-3-acetyl-1-(3-methoxyphenyl)piperidin-2-one
CID 125457892
1-(3-methoxyphenyl)-3-sulfanylpyrrolidin-2-one
CID 58957147
(3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one
CID 96511939
methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate
CID 124616584
3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 126782574
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one?
The IUPAC name of (3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one (CID 97103214) is (3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one.
What is the SMILES notation for (3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one?
The canonical SMILES for (3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one is COc1cccc(N2CCC[C@@H](N[C@H](C)c3cnc(C)s3)C2=O)c1.
What is the InChIKey of (3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one?
The InChIKey is LHDUYGZUAUHKCE-MLGOLLRUSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(17-11-19-13(2)24-17)20-16-8-5-9-21(18(16)22)14-6-4-7-15(10-14)23-3/h4,6-7,10-12,16,20H,5,8-9H2,1-3H3/t12-,16-/m1/s1.
What are the key properties of (3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one?
(3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one has a molecular weight of 345.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methoxyphenyl)-3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]piperidin-2-one is sourced from PubChem (CID 97103214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).