[2-(methylamino)-2-oxoethyl] 3-[2-(4-chlorophenoxy)ethyl]piperazine-1-carboxylate

C16H22ClN3O4 — CID 141121561

IUPAC[2-(methylamino)-2-oxoethyl] 3-[2-(4-chlorophenoxy)ethyl]piperazine-1-carboxylate
SMILESCNC(=O)COC(=O)N1CCNC(CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H22ClN3O4/c1-18-15(21)11-24-16(22)20-8-7-19-13(10-20)6-9-23-14-4-2-12(17)3-5-14/h2-5,13,19H,6-11H2,1H3,(H,18,21)
InChIKeyVKADNYVUAXBOBO-UHFFFAOYSA-N
MW355.82 g/mol
LogP1.27
Rot. Bonds6

About [2-(methylamino)-2-oxoethyl] 3-[2-(4-chlorophenoxy)ethyl]piperazine-1-carboxylate

[2-(methylamino)-2-oxoethyl] 3-[2-(4-chlorophenoxy)ethyl]piperazine-1-carboxylate (PubChem CID 141121561) has the molecular formula C16H22ClN3O4 and a molecular weight of 355.82 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 3-[2-(4-chlorophenoxy)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 3-[2-(4-chlorophenoxy)ethyl]piperazine-1-carboxylate
PubChem CID141121561
Molecular FormulaC16H22ClN3O4
Molecular Weight355.82 g/mol
Exact Mass355.13
IUPAC Name[2-(methylamino)-2-oxoethyl] 3-[2-(4-chlorophenoxy)ethyl]piperazine-1-carboxylate
SMILESCNC(=O)COC(=O)N1CCNC(CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H22ClN3O4/c1-18-15(21)11-24-16(22)20-8-7-19-13(10-20)6-9-23-14-4-2-12(17)3-5-14/h2-5,13,19H,6-11H2,1H3,(H,18,21)
InChIKeyVKADNYVUAXBOBO-UHFFFAOYSA-N
XLogP1.27
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (3R)-3-[2-(4-fluoro-3-methoxycarbonylphenoxy)ethyl]piperazine-1-carboxylate
CID 90712057
2-(4-chlorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81426221
(3R)-3-[2-(4-methylsulfonylphenoxy)ethyl]piperazine-1-carboxylic acid
CID 68985680
benzyl (3R)-3-[2-[(6-methoxycarbonyl-3-pyridinyl)oxy]ethyl]piperazine-1-carboxylate
CID 91394380
3-[2-(3,4-dimethylphenoxy)ethyl]piperazine-1-carboxylic acid
CID 69174887
benzyl (3R)-3-[2-(4-pyrazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate;hydrochloride
CID 140537866
benzyl (3R)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)phenoxy]ethyl]piperazine-1-carboxylate
CID 91265837
ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112970922
benzyl (3R)-3-[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]ethyl]piperazine-1-carboxylate
CID 91313946
2-(4-chlorophenoxy)-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]ethanone
CID 130320248
2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535016
[2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate
CID 59814811

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 3-[2-(4-chlorophenoxy)ethyl]piperazine-1-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 3-[2-(4-chlorophenoxy)ethyl]piperazine-1-carboxylate (CID 141121561) is [2-(methylamino)-2-oxoethyl] 3-[2-(4-chlorophenoxy)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 3-[2-(4-chlorophenoxy)ethyl]piperazine-1-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 3-[2-(4-chlorophenoxy)ethyl]piperazine-1-carboxylate is CNC(=O)COC(=O)N1CCNC(CCOc2ccc(Cl)cc2)C1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 3-[2-(4-chlorophenoxy)ethyl]piperazine-1-carboxylate?
The InChIKey is VKADNYVUAXBOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O4/c1-18-15(21)11-24-16(22)20-8-7-19-13(10-20)6-9-23-14-4-2-12(17)3-5-14/h2-5,13,19H,6-11H2,1H3,(H,18,21).
What are the key properties of [2-(methylamino)-2-oxoethyl] 3-[2-(4-chlorophenoxy)ethyl]piperazine-1-carboxylate?
[2-(methylamino)-2-oxoethyl] 3-[2-(4-chlorophenoxy)ethyl]piperazine-1-carboxylate has a molecular weight of 355.82 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 3-[2-(4-chlorophenoxy)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 141121561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).