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

C16H22ClN3O3 — CID 174508294

IUPAC[2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate
SMILESCNC(=O)COC(=O)N1CCN(CCc2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O3/c1-18-15(21)12-23-16(22)20-10-8-19(9-11-20)7-6-13-4-2-3-5-14(13)17/h2-5H,6-12H2,1H3,(H,18,21)
InChIKeyDTRGHPKYOLLDQE-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.38
Rot. Bonds5

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

[2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate (PubChem CID 174508294) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate
PubChem CID174508294
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name[2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate
SMILESCNC(=O)COC(=O)N1CCN(CCc2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O3/c1-18-15(21)12-23-16(22)20-10-8-19(9-11-20)7-6-13-4-2-3-5-14(13)17/h2-5H,6-12H2,1H3,(H,18,21)
InChIKeyDTRGHPKYOLLDQE-UHFFFAOYSA-N
XLogP1.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylamino)-2-oxoethyl] 4-[3-(2-chlorophenoxy)propyl]piperazine-1-carboxylate
CID 67305101
ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate
CID 113075233
[2-(methylamino)-2-oxoethyl] 4-[5-(2,5-dichlorophenyl)pent-4-ynyl]piperazine-1-carboxylate
CID 68997213
2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 176882447
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104911
N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113107783
4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid
CID 69366901
tert-butyl 4-[2-(2-chlorophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 108900441
(2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 94669702
ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate
CID 110675422
N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105167
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate (CID 174508294) is [2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate is CNC(=O)COC(=O)N1CCN(CCc2ccccc2Cl)CC1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate?
The InChIKey is DTRGHPKYOLLDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-18-15(21)12-23-16(22)20-10-8-19(9-11-20)7-6-13-4-2-3-5-14(13)17/h2-5H,6-12H2,1H3,(H,18,21).
What are the key properties of [2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate?
[2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate has a molecular weight of 339.82 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 174508294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).