5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one

C15H21ClN2O2 — CID 104818740

IUPAC5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one
SMILESCCCN1C(=O)CCC(N)C1c1c(Cl)cccc1OC
InChIInChI=1S/C15H21ClN2O2/c1-3-9-18-13(19)8-7-11(17)15(18)14-10(16)5-4-6-12(14)20-2/h4-6,11,15H,3,7-9,17H2,1-2H3
InChIKeyWVGXGEAXRDCAGD-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.75
Rot. Bonds4

About 5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one

5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one (PubChem CID 104818740) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one
PubChem CID104818740
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one
SMILESCCCN1C(=O)CCC(N)C1c1c(Cl)cccc1OC
InChIInChI=1S/C15H21ClN2O2/c1-3-9-18-13(19)8-7-11(17)15(18)14-10(16)5-4-6-12(14)20-2/h4-6,11,15H,3,7-9,17H2,1-2H3
InChIKeyWVGXGEAXRDCAGD-UHFFFAOYSA-N
XLogP2.75
TPSA55.56 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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one
CID 104818739
6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one
CID 104818738
5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one
CID 82193413
[2-(2-chloro-6-methoxyphenyl)-1-propylazepan-3-yl]methanamine
CID 104818727
2-(2-chloro-6-methoxyphenyl)-1-cyclopropylpyrrolidin-3-amine
CID 113456591
5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one
CID 82193409
(3aR,9bS)-9-methoxy-3-propyl-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-one
CID 10038193
2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine
CID 104817620
5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one
CID 102844670
5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one
CID 82193447
5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one
CID 82193334
5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 115641852

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one?
The IUPAC name of 5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one (CID 104818740) is 5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one.
What is the SMILES notation for 5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one?
The canonical SMILES for 5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one is CCCN1C(=O)CCC(N)C1c1c(Cl)cccc1OC.
What is the InChIKey of 5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one?
The InChIKey is WVGXGEAXRDCAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-9-18-13(19)8-7-11(17)15(18)14-10(16)5-4-6-12(14)20-2/h4-6,11,15H,3,7-9,17H2,1-2H3.
What are the key properties of 5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one?
5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one has a molecular weight of 296.80 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one is sourced from PubChem (CID 104818740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).