1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one

C24H35ClN2O4 — CID 124975511

IUPAC1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCO[C@](COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C24H35ClN2O4/c1-3-19(4-2)23(29)27-13-14-31-24(17-27,16-22(28)26-11-6-5-7-12-26)18-30-21-10-8-9-20(25)15-21/h8-10,15,19H,3-7,11-14,16-18H2,1-2H3/t24-/m1/s1
InChIKeyKYKORSVGJMQVQG-XMMPIXPASA-N
MW451.01 g/mol
LogP4.16
Rot. Bonds8

About 1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one

1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one (PubChem CID 124975511) has the molecular formula C24H35ClN2O4 and a molecular weight of 451.01 g/mol. Its IUPAC name is 1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one
PubChem CID124975511
Molecular FormulaC24H35ClN2O4
Molecular Weight451.01 g/mol
Exact Mass450.23
IUPAC Name1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCO[C@](COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C24H35ClN2O4/c1-3-19(4-2)23(29)27-13-14-31-24(17-27,16-22(28)26-11-6-5-7-12-26)18-30-21-10-8-9-20(25)15-21/h8-10,15,19H,3-7,11-14,16-18H2,1-2H3/t24-/m1/s1
InChIKeyKYKORSVGJMQVQG-XMMPIXPASA-N
XLogP4.16
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.01
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one?
The IUPAC name of 1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one (CID 124975511) is 1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one.
What is the SMILES notation for 1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one?
The canonical SMILES for 1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one is CCC(CC)C(=O)N1CCO[C@](COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)C1.
What is the InChIKey of 1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one?
The InChIKey is KYKORSVGJMQVQG-XMMPIXPASA-N. The full InChI is InChI=1S/C24H35ClN2O4/c1-3-19(4-2)23(29)27-13-14-31-24(17-27,16-22(28)26-11-6-5-7-12-26)18-30-21-10-8-9-20(25)15-21/h8-10,15,19H,3-7,11-14,16-18H2,1-2H3/t24-/m1/s1.
What are the key properties of 1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one?
1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one has a molecular weight of 451.01 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one is sourced from PubChem (CID 124975511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).