5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one

C16H24N2O — CID 55246437

IUPAC5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one
SMILESCC(C)c1ccc(C(C)NC2CCC(=O)NC2)cc1
InChIInChI=1S/C16H24N2O/c1-11(2)13-4-6-14(7-5-13)12(3)18-15-8-9-16(19)17-10-15/h4-7,11-12,15,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyRUGKCLMAYTWLIY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.74
Rot. Bonds4

About 5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one

5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one (PubChem CID 55246437) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one
PubChem CID55246437
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one
SMILESCC(C)c1ccc(C(C)NC2CCC(=O)NC2)cc1
InChIInChI=1S/C16H24N2O/c1-11(2)13-4-6-14(7-5-13)12(3)18-15-8-9-16(19)17-10-15/h4-7,11-12,15,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyRUGKCLMAYTWLIY-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one
CID 63662418
5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one
CID 55246811
5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one
CID 63663369
5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one
CID 63662235
4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63662849
5-(2,6-dimethylheptan-4-ylamino)piperidin-2-one
CID 55246442
5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one
CID 63663695
5-(1-phenylpropylamino)piperidin-2-one
CID 63661190
N-[1-(4-propan-2-ylphenyl)ethyl]cyclopent-3-en-1-amine
CID 115728342
5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one
CID 63663146
5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 78981922
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one
CID 63661199

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one?
The IUPAC name of 5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one (CID 55246437) is 5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one.
What is the SMILES notation for 5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one?
The canonical SMILES for 5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one is CC(C)c1ccc(C(C)NC2CCC(=O)NC2)cc1.
What is the InChIKey of 5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one?
The InChIKey is RUGKCLMAYTWLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)13-4-6-14(7-5-13)12(3)18-15-8-9-16(19)17-10-15/h4-7,11-12,15,18H,8-10H2,1-3H3,(H,17,19).
What are the key properties of 5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one?
5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one is sourced from PubChem (CID 55246437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).