5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one

C19H30N2O3 — CID 138809375

IUPAC5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one
SMILESCOc1ccccc1OCCN(C)CC1CCC(=O)N(C(C)C)C1
InChIInChI=1S/C19H30N2O3/c1-15(2)21-14-16(9-10-19(21)22)13-20(3)11-12-24-18-8-6-5-7-17(18)23-4/h5-8,15-16H,9-14H2,1-4H3
InChIKeyANWLPWZTNKDNSD-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.65
Rot. Bonds8

About 5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one

5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one (PubChem CID 138809375) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one
PubChem CID138809375
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one
SMILESCOc1ccccc1OCCN(C)CC1CCC(=O)N(C(C)C)C1
InChIInChI=1S/C19H30N2O3/c1-15(2)21-14-16(9-10-19(21)22)13-20(3)11-12-24-18-8-6-5-7-17(18)23-4/h5-8,15-16H,9-14H2,1-4H3
InChIKeyANWLPWZTNKDNSD-UHFFFAOYSA-N
XLogP2.65
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one
CID 139598790
5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one
CID 138377860
5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one
CID 138380122
5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one
CID 138807862
5-[[isoquinolin-5-ylmethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one
CID 138806817
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine
CID 14895640
methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60965015
5-[(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-propan-2-ylpiperidin-2-one
CID 138808811
N-[2-(2-methoxyphenoxy)ethyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915931
4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 168699576
1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone
CID 55125855
N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine
CID 91831507

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one (CID 138809375) is 5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one is COc1ccccc1OCCN(C)CC1CCC(=O)N(C(C)C)C1.
What is the InChIKey of 5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one?
The InChIKey is ANWLPWZTNKDNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15(2)21-14-16(9-10-19(21)22)13-20(3)11-12-24-18-8-6-5-7-17(18)23-4/h5-8,15-16H,9-14H2,1-4H3.
What are the key properties of 5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one?
5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 334.46 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 138809375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).