methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate

C15H17ClN2O5 — CID 2919627

IUPACmethyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O5/c1-22-14(20)8-12-15(21)17-6-7-18(12)13(19)9-23-11-4-2-10(16)3-5-11/h2-5,12H,6-9H2,1H3,(H,17,21)
InChIKeyBLQTURRDKXDNIY-UHFFFAOYSA-N
MW340.76 g/mol
LogP0.61
Rot. Bonds5

About methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate

methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 2919627) has the molecular formula C15H17ClN2O5 and a molecular weight of 340.76 g/mol. Its IUPAC name is methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
PubChem CID2919627
Molecular FormulaC15H17ClN2O5
Molecular Weight340.76 g/mol
Exact Mass340.08
IUPAC Namemethyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O5/c1-22-14(20)8-12-15(21)17-6-7-18(12)13(19)9-23-11-4-2-10(16)3-5-11/h2-5,12H,6-9H2,1H3,(H,17,21)
InChIKeyBLQTURRDKXDNIY-UHFFFAOYSA-N
XLogP0.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 47014513
methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005065
methyl 2-[1-[2-(4-chlorophenyl)sulfanylacetyl]-3-oxopiperazin-2-yl]acetate
CID 17036218
2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 91766846
ethyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 4944950
4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110644941
methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005060
methyl 2-[1-(5-chloropyridine-2-carbonyl)-3-oxopiperazin-2-yl]acetate
CID 56873399
cyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 4945035
3-methylbutyl 2-[1-[2-(4-bromophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17079734
methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 2431498
methyl 2-[(2R)-1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]-3-oxopiperazin-2-yl]acetate
CID 2445703

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate (CID 2919627) is methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is BLQTURRDKXDNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O5/c1-22-14(20)8-12-15(21)17-6-7-18(12)13(19)9-23-11-4-2-10(16)3-5-11/h2-5,12H,6-9H2,1H3,(H,17,21).
What are the key properties of methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate?
methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 340.76 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 2919627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).