(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one

C19H25N3O2S — CID 95202805

IUPAC(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one
SMILESCc1cccc(CN2CCC[C@@](O)(CNCCc3cscn3)C2=O)c1
InChIInChI=1S/C19H25N3O2S/c1-15-4-2-5-16(10-15)11-22-9-3-7-19(24,18(22)23)13-20-8-6-17-12-25-14-21-17/h2,4-5,10,12,14,20,24H,3,6-9,11,13H2,1H3/t19-/m1/s1
InChIKeyFKVGLYUFZMZIIT-LJQANCHMSA-N
MW359.50 g/mol
LogP2.14
Rot. Bonds7

About (3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one

(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one (PubChem CID 95202805) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one
PubChem CID95202805
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one
SMILESCc1cccc(CN2CCC[C@@](O)(CNCCc3cscn3)C2=O)c1
InChIInChI=1S/C19H25N3O2S/c1-15-4-2-5-16(10-15)11-22-9-3-7-19(24,18(22)23)13-20-8-6-17-12-25-14-21-17/h2,4-5,10,12,14,20,24H,3,6-9,11,13H2,1H3/t19-/m1/s1
InChIKeyFKVGLYUFZMZIIT-LJQANCHMSA-N
XLogP2.14
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]piperidin-2-one
CID 25377362
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
CID 45251257
2-[[3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methylamino]-N-methylethanesulfonamide
CID 56746440
(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 42193572
(3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42122047
(3S)-3-[[(2,5-difluorophenyl)methylamino]methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42528175
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylamino)methyl]piperidin-2-one
CID 45251604
(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one
CID 42310209
3-[[2-(2,5-dimethylphenyl)ethylamino]methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 56756727
3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one
CID 56712551
(3S)-3-[[(2,5-dimethylphenyl)methylamino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 95213454
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
CID 45253289

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one?
The IUPAC name of (3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one (CID 95202805) is (3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one is Cc1cccc(CN2CCC[C@@](O)(CNCCc3cscn3)C2=O)c1.
What is the InChIKey of (3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one?
The InChIKey is FKVGLYUFZMZIIT-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-15-4-2-5-16(10-15)11-22-9-3-7-19(24,18(22)23)13-20-8-6-17-12-25-14-21-17/h2,4-5,10,12,14,20,24H,3,6-9,11,13H2,1H3/t19-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one?
(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one has a molecular weight of 359.50 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one is sourced from PubChem (CID 95202805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).