5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one

C15H22N2O2 — CID 63663695

IUPAC5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one
SMILESCOc1ccc(C)cc1C(C)NC1CCC(=O)NC1
InChIInChI=1S/C15H22N2O2/c1-10-4-6-14(19-3)13(8-10)11(2)17-12-5-7-15(18)16-9-12/h4,6,8,11-12,17H,5,7,9H2,1-3H3,(H,16,18)
InChIKeyZPQZICDMKRDQIX-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.93
Rot. Bonds4

About 5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one

5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one (PubChem CID 63663695) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one
PubChem CID63663695
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one
SMILESCOc1ccc(C)cc1C(C)NC1CCC(=O)NC1
InChIInChI=1S/C15H22N2O2/c1-10-4-6-14(19-3)13(8-10)11(2)17-12-5-7-15(18)16-9-12/h4,6,8,11-12,17H,5,7,9H2,1-3H3,(H,16,18)
InChIKeyZPQZICDMKRDQIX-UHFFFAOYSA-N
XLogP1.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine
CID 79724448
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94875015
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80559992
1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine
CID 43747073
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301037
4-(2-methoxy-5-methylphenyl)azetidin-2-one
CID 66350975
N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,5-dimethylthian-3-amine
CID 79955712
1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine
CID 61171341
N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43204161
5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one
CID 55246811
4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one
CID 114155202
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64760413

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one?
The IUPAC name of 5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one (CID 63663695) is 5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one.
What is the SMILES notation for 5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one?
The canonical SMILES for 5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one is COc1ccc(C)cc1C(C)NC1CCC(=O)NC1.
What is the InChIKey of 5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one?
The InChIKey is ZPQZICDMKRDQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-4-6-14(19-3)13(8-10)11(2)17-12-5-7-15(18)16-9-12/h4,6,8,11-12,17H,5,7,9H2,1-3H3,(H,16,18).
What are the key properties of 5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one?
5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one is sourced from PubChem (CID 63663695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).