ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate

C10H15ClN2O4 — CID 18524131

IUPACethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)CCl
InChIInChI=1S/C10H15ClN2O4/c1-2-17-9(15)5-7-10(16)12-3-4-13(7)8(14)6-11/h7H,2-6H2,1H3,(H,12,16)
InChIKeyRSLPGWDVPNKNMZ-UHFFFAOYSA-N
MW262.69 g/mol
LogP-0.49
Rot. Bonds4

About ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate

ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 18524131) has the molecular formula C10H15ClN2O4 and a molecular weight of 262.69 g/mol. Its IUPAC name is ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate
PubChem CID18524131
Molecular FormulaC10H15ClN2O4
Molecular Weight262.69 g/mol
Exact Mass262.07
IUPAC Nameethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)CCl
InChIInChI=1S/C10H15ClN2O4/c1-2-17-9(15)5-7-10(16)12-3-4-13(7)8(14)6-11/h7H,2-6H2,1H3,(H,12,16)
InChIKeyRSLPGWDVPNKNMZ-UHFFFAOYSA-N
XLogP-0.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate
CID 54794436
pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
CID 54789180
pentyl 2-[(2S)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083224
ethyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 4944950
dodecyl 2-[1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 46736621
ethyl 2-[3-oxo-1-(3-phenylprop-2-enoyl)piperazin-2-yl]acetate
CID 71952358
4-[2-(2-decoxy-2-oxoethyl)-3-oxopiperazin-1-yl]-4-oxobutanoic acid
CID 17093824
ethyl 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 1382900
butan-2-yl 2-[1-(4-chlorobutanoyl)-3-oxopiperazin-2-yl]acetate
CID 54792713
ethyl 2-[(2S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate
CID 905610
N-(4-acetamidophenyl)-2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide
CID 71668630
N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide
CID 97033698

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate (CID 18524131) is ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate is CCOC(=O)CC1C(=O)NCCN1C(=O)CCl.
What is the InChIKey of ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is RSLPGWDVPNKNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4/c1-2-17-9(15)5-7-10(16)12-3-4-13(7)8(14)6-11/h7H,2-6H2,1H3,(H,12,16).
What are the key properties of ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate?
ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 262.69 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 18524131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).