methyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate

C16H20N4O6 — CID 43074106

IUPACmethyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H20N4O6/c1-18-9-10(15(24)19(2)16(18)25)4-5-12(21)20-7-6-17-14(23)11(20)8-13(22)26-3/h4-5,9,11H,6-8H2,1-3H3,(H,17,23)/b5-4+
InChIKeyDZHDLIUGVBAEMP-SNAWJCMRSA-N
MW364.36 g/mol
LogP-2.01
Rot. Bonds4

About methyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate

methyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 43074106) has the molecular formula C16H20N4O6 and a molecular weight of 364.36 g/mol. Its IUPAC name is methyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate
PubChem CID43074106
Molecular FormulaC16H20N4O6
Molecular Weight364.36 g/mol
Exact Mass364.14
IUPAC Namemethyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H20N4O6/c1-18-9-10(15(24)19(2)16(18)25)4-5-12(21)20-7-6-17-14(23)11(20)8-13(22)26-3/h4-5,9,11H,6-8H2,1-3H3,(H,17,23)/b5-4+
InChIKeyDZHDLIUGVBAEMP-SNAWJCMRSA-N
XLogP-2.01
TPSA119.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 5-2.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[1-[(2E,4E)-hexa-2,4-dienoyl]-3-oxopiperazin-2-yl]acetate
CID 43074138
methyl 2-[1-[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate
CID 43074080
methyl 2-[1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]-3-oxopiperazin-2-yl]acetate
CID 43011914
ethyl 2-[3-oxo-1-(3-phenylprop-2-enoyl)piperazin-2-yl]acetate
CID 71952358
ethyl 2-[(2S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate
CID 905610
methyl 2-[3-oxo-1-(3-phenylprop-2-enoylcarbamothioyl)piperazin-2-yl]acetate
CID 4927019
tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 2986153
1,3-dimethyl-5-[(Z)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]prop-1-enyl]pyrimidine-2,4-dione
CID 97449878
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
methyl 2-[1-(2,6-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 3994011
methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 2431498
ethyl (E)-4-[2-(2-decoxy-2-oxoethyl)-3-oxopiperazin-1-yl]-4-oxobut-2-enoate
CID 17093833

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate (CID 43074106) is methyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of methyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is DZHDLIUGVBAEMP-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H20N4O6/c1-18-9-10(15(24)19(2)16(18)25)4-5-12(21)20-7-6-17-14(23)11(20)8-13(22)26-3/h4-5,9,11H,6-8H2,1-3H3,(H,17,23)/b5-4+.
What are the key properties of methyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate?
methyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 364.36 g/mol, XLogP of -2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 43074106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).