ethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate

C15H19Cl2N3O3 — CID 3702390

IUPACethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H19Cl2N3O3/c1-2-23-13(21)10-19-6-8-20(9-7-19)15(22)18-14-11(16)4-3-5-12(14)17/h3-5H,2,6-10H2,1H3,(H,18,22)
InChIKeyNAADTVUDIMTIEZ-UHFFFAOYSA-N
MW360.24 g/mol
LogP2.71
Rot. Bonds4

About ethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate

ethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate (PubChem CID 3702390) has the molecular formula C15H19Cl2N3O3 and a molecular weight of 360.24 g/mol. Its IUPAC name is ethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate
PubChem CID3702390
Molecular FormulaC15H19Cl2N3O3
Molecular Weight360.24 g/mol
Exact Mass359.08
IUPAC Nameethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H19Cl2N3O3/c1-2-23-13(21)10-19-6-8-20(9-7-19)15(22)18-14-11(16)4-3-5-12(14)17/h3-5H,2,6-10H2,1H3,(H,18,22)
InChIKeyNAADTVUDIMTIEZ-UHFFFAOYSA-N
XLogP2.71
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[4-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]anilino]-3-oxopropanoate
CID 58258592
N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
CID 108988464
ethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate
CID 3262647
ethyl 2-[4-[(4-bromo-2-methylphenyl)carbamoyl]piperazin-1-yl]acetate
CID 3721507
N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109157
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045
4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 59419439
ethyl 2-[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]acetate
CID 3300385
methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 17478962
N-(2,6-dimethoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108867993

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate (CID 3702390) is ethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate is CCOC(=O)CN1CCN(C(=O)Nc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of ethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate?
The InChIKey is NAADTVUDIMTIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O3/c1-2-23-13(21)10-19-6-8-20(9-7-19)15(22)18-14-11(16)4-3-5-12(14)17/h3-5H,2,6-10H2,1H3,(H,18,22).
What are the key properties of ethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate?
ethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate has a molecular weight of 360.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate is sourced from PubChem (CID 3702390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).