methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate

C12H22N4O4 — CID 78982381

IUPACmethyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate
SMILESCNC(=O)NC(=O)CN1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C12H22N4O4/c1-13-12(19)14-10(17)9-16-7-5-15(6-8-16)4-3-11(18)20-2/h3-9H2,1-2H3,(H2,13,14,17,19)
InChIKeyHRQJNINXFCZQLY-UHFFFAOYSA-N
MW286.33 g/mol
LogP-1.38
Rot. Bonds5

About methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate

methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate (PubChem CID 78982381) has the molecular formula C12H22N4O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate
PubChem CID78982381
Molecular FormulaC12H22N4O4
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Namemethyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate
SMILESCNC(=O)NC(=O)CN1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C12H22N4O4/c1-13-12(19)14-10(17)9-16-7-5-15(6-8-16)4-3-11(18)20-2/h3-9H2,1-2H3,(H2,13,14,17,19)
InChIKeyHRQJNINXFCZQLY-UHFFFAOYSA-N
XLogP-1.38
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 78913615
3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 94007632
methyl 2-[4,7-bis(2-methoxy-2-oxoethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 143494239
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 48943846
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 119923266
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 81493119
methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate
CID 60728436
methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
CID 115537132
methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 80703621
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119922349
methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate (CID 78982381) is methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate is CNC(=O)NC(=O)CN1CCN(CCC(=O)OC)CC1.
What is the InChIKey of methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate?
The InChIKey is HRQJNINXFCZQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4/c1-13-12(19)14-10(17)9-16-7-5-15(6-8-16)4-3-11(18)20-2/h3-9H2,1-2H3,(H2,13,14,17,19).
What are the key properties of methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate?
methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate has a molecular weight of 286.33 g/mol, XLogP of -1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 78982381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).