5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one

C14H19ClN2O2 — CID 115641852

IUPAC5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
SMILESCOc1cccc(Cl)c1CNC1CCC(=O)N(C)C1
InChIInChI=1S/C14H19ClN2O2/c1-17-9-10(6-7-14(17)18)16-8-11-12(15)4-3-5-13(11)19-2/h3-5,10,16H,6-9H2,1-2H3
InChIKeyKZYDQODYSZGUHK-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.06
Rot. Bonds4

About 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one

5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one (PubChem CID 115641852) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
PubChem CID115641852
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
SMILESCOc1cccc(Cl)c1CNC1CCC(=O)N(C)C1
InChIInChI=1S/C14H19ClN2O2/c1-17-9-10(6-7-14(17)18)16-8-11-12(15)4-3-5-13(11)19-2/h3-5,10,16H,6-9H2,1-2H3
InChIKeyKZYDQODYSZGUHK-UHFFFAOYSA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656501
N-[(2-chloro-6-methoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 104815757
5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 104646399
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671630
5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
CID 64655740
5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656120
5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one
CID 64656505
N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562453
N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103291927
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine
CID 103291935
N-[(2-chloro-6-methoxyphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 103292030
N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 104816053

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one (CID 115641852) is 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one is COc1cccc(Cl)c1CNC1CCC(=O)N(C)C1.
What is the InChIKey of 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one?
The InChIKey is KZYDQODYSZGUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-17-9-10(6-7-14(17)18)16-8-11-12(15)4-3-5-13(11)19-2/h3-5,10,16H,6-9H2,1-2H3.
What are the key properties of 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one?
5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one has a molecular weight of 282.77 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one is sourced from PubChem (CID 115641852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).