5-[1-(5-chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one

C15H21ClN2O2 — CID 75428264

IUPAC5-[1-(5-chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one
SMILESCOc1ccc(Cl)cc1C(C)NC1CCC(=O)N(C)C1
InChIInChI=1S/C15H21ClN2O2/c1-10(13-8-11(16)4-6-14(13)20-3)17-12-5-7-15(19)18(2)9-12/h4,6,8,10,12,17H,5,7,9H2,1-3H3
InChIKeyKOMFJWQWZIWNMK-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.62
Rot. Bonds4

About 5-[1-(5-chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one

5-[1-(5-chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one (PubChem CID 75428264) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-[1-(5-chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[1-(5-chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one
PubChem CID75428264
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name5-[1-(5-chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one
SMILESCOc1ccc(Cl)cc1C(C)NC1CCC(=O)N(C)C1
InChIInChI=1S/C15H21ClN2O2/c1-10(13-8-11(16)4-6-14(13)20-3)17-12-5-7-15(19)18(2)9-12/h4,6,8,10,12,17H,5,7,9H2,1-3H3
InChIKeyKOMFJWQWZIWNMK-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[1-(5-chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one (CID 75428264) is 5-[1-(5-chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[1-(5-chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[1-(5-chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one is COc1ccc(Cl)cc1C(C)NC1CCC(=O)N(C)C1.
What is the InChIKey of 5-[1-(5-chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one?
The InChIKey is KOMFJWQWZIWNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(13-8-11(16)4-6-14(13)20-3)17-12-5-7-15(19)18(2)9-12/h4,6,8,10,12,17H,5,7,9H2,1-3H3.
What are the key properties of 5-[1-(5-chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one?
5-[1-(5-chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one has a molecular weight of 296.80 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one is sourced from PubChem (CID 75428264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).