[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate

C16H20ClNO4 — CID 5017264

IUPAC[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESCC1CCCN(C(=O)COC(=O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H20ClNO4/c1-12-3-2-8-18(9-12)15(19)10-22-16(20)11-21-14-6-4-13(17)5-7-14/h4-7,12H,2-3,8-11H2,1H3
InChIKeyDWZBPTJCFFSGBS-UHFFFAOYSA-N
MW325.79 g/mol
LogP2.52
Rot. Bonds5

About [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 5017264) has the molecular formula C16H20ClNO4 and a molecular weight of 325.79 g/mol. Its IUPAC name is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
PubChem CID5017264
Molecular FormulaC16H20ClNO4
Molecular Weight325.79 g/mol
Exact Mass325.11
IUPAC Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESCC1CCCN(C(=O)COC(=O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H20ClNO4/c1-12-3-2-8-18(9-12)15(19)10-22-16(20)11-21-14-6-4-13(17)5-7-14/h4-7,12H,2-3,8-11H2,1H3
InChIKeyDWZBPTJCFFSGBS-UHFFFAOYSA-N
XLogP2.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4062713
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925634
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2355354
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535016
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732428
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678453
2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 112978910
methyl 4-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 60624261
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 7500183

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate (CID 5017264) is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate is CC1CCCN(C(=O)COC(=O)COc2ccc(Cl)cc2)C1.
What is the InChIKey of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is DWZBPTJCFFSGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO4/c1-12-3-2-8-18(9-12)15(19)10-22-16(20)11-21-14-6-4-13(17)5-7-14/h4-7,12H,2-3,8-11H2,1H3.
What are the key properties of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 325.79 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 5017264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).