methyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

C17H29N3O4 — CID 29232532

IUPACmethyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C17H29N3O4/c1-12-4-6-13(7-5-12)19(2)15(21)11-20-9-8-18-17(23)14(20)10-16(22)24-3/h12-14H,4-11H2,1-3H3,(H,18,23)/t12?,13?,14-/m1/s1
InChIKeyKRAXOBTZZSDZPU-JXQTWKCFSA-N
MW339.44 g/mol
LogP0.39
Rot. Bonds5

About methyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

methyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 29232532) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is methyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
PubChem CID29232532
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Namemethyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C17H29N3O4/c1-12-4-6-13(7-5-12)19(2)15(21)11-20-9-8-18-17(23)14(20)10-16(22)24-3/h12-14H,4-11H2,1-3H3,(H,18,23)/t12?,13?,14-/m1/s1
InChIKeyKRAXOBTZZSDZPU-JXQTWKCFSA-N
XLogP0.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[(2R)-1-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 39975651
methyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate
CID 124823842
methyl 2-[1-[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 24574910
propyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819623
methyl 2-[3-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazin-2-yl]acetate
CID 47010478
methyl 2-[(2S)-1-[2-(benzylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560174
methyl 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231924
ethyl 4-[[2-[(2R)-2-(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-yl]acetyl]amino]benzoate
CID 8561303
methyl 2-[[2-[(2R)-2-(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8561764
methyl 2-[(2S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560991
methyl 2-[(2R)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8561434
methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 952254

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (CID 29232532) is methyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N(C)C1CCC(C)CC1.
What is the InChIKey of methyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is KRAXOBTZZSDZPU-JXQTWKCFSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-12-4-6-13(7-5-12)19(2)15(21)11-20-9-8-18-17(23)14(20)10-16(22)24-3/h12-14H,4-11H2,1-3H3,(H,18,23)/t12?,13?,14-/m1/s1.
What are the key properties of methyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
methyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 339.44 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 29232532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).