ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate

C13H22N4O4 — CID 110305640

IUPACethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)NC2CC2)CC1
InChIInChI=1S/C13H22N4O4/c1-2-21-13(20)17-7-5-16(6-8-17)11(18)9-14-12(19)15-10-3-4-10/h10H,2-9H2,1H3,(H2,14,15,19)
InChIKeyZPZOPUMRCFAJRI-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.25
Rot. Bonds4

About ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate (PubChem CID 110305640) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate
PubChem CID110305640
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Nameethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)NC2CC2)CC1
InChIInChI=1S/C13H22N4O4/c1-2-21-13(20)17-7-5-16(6-8-17)11(18)9-14-12(19)15-10-3-4-10/h10H,2-9H2,1H3,(H2,14,15,19)
InChIKeyZPZOPUMRCFAJRI-UHFFFAOYSA-N
XLogP-0.25
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
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ethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate
CID 110625492
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea
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ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 51077572
ethyl 4-(2-chloropropanoylcarbamoylamino)piperidine-1-carboxylate
CID 43328963
ethyl 4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108944536
ethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoylamino]piperidine-1-carboxylate
CID 108864537
ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate
CID 93255529

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate (CID 110305640) is ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNC(=O)NC2CC2)CC1.
What is the InChIKey of ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate?
The InChIKey is ZPZOPUMRCFAJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-2-21-13(20)17-7-5-16(6-8-17)11(18)9-14-12(19)15-10-3-4-10/h10H,2-9H2,1H3,(H2,14,15,19).
What are the key properties of ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate has a molecular weight of 298.34 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 110305640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).