5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one

C16H24N2O2 — CID 63663369

IUPAC5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one
SMILESCC(C)c1ccc(C(O)CNC2CCC(=O)NC2)cc1
InChIInChI=1S/C16H24N2O2/c1-11(2)12-3-5-13(6-4-12)15(19)10-17-14-7-8-16(20)18-9-14/h3-6,11,14-15,17,19H,7-10H2,1-2H3,(H,18,20)
InChIKeyQEMKTDAOVZWJFH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.71
Rot. Bonds5

About 5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one

5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one (PubChem CID 63663369) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one
PubChem CID63663369
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one
SMILESCC(C)c1ccc(C(O)CNC2CCC(=O)NC2)cc1
InChIInChI=1S/C16H24N2O2/c1-11(2)12-3-5-13(6-4-12)15(19)10-17-14-7-8-16(20)18-9-14/h3-6,11,14-15,17,19H,7-10H2,1-2H3,(H,18,20)
InChIKeyQEMKTDAOVZWJFH-UHFFFAOYSA-N
XLogP1.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one
CID 106189161
5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one
CID 63661920
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one
CID 106189351
5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one
CID 55246437
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
4-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one
CID 106188907
2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 64733261
(5S)-5-(ethylamino)piperidin-2-one
CID 89165627
2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 166401949
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide
CID 111422615
5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one
CID 63661388
5-(2-hydroxyethylamino)piperidin-2-one
CID 63661221

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one?
The IUPAC name of 5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one (CID 63663369) is 5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one?
The canonical SMILES for 5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one is CC(C)c1ccc(C(O)CNC2CCC(=O)NC2)cc1.
What is the InChIKey of 5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one?
The InChIKey is QEMKTDAOVZWJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)12-3-5-13(6-4-12)15(19)10-17-14-7-8-16(20)18-9-14/h3-6,11,14-15,17,19H,7-10H2,1-2H3,(H,18,20).
What are the key properties of 5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one?
5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one is sourced from PubChem (CID 63663369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).