ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate

C16H28N4O4 — CID 31692902

IUPACethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCC(=O)NC(=O)NC2CCCC2)CC1
InChIInChI=1S/C16H28N4O4/c1-2-24-16(23)20-11-9-19(10-12-20)8-7-14(21)18-15(22)17-13-5-3-4-6-13/h13H,2-12H2,1H3,(H2,17,18,21,22)
InChIKeyIBGGKXXUHJEUOX-UHFFFAOYSA-N
MW340.42 g/mol
LogP0.92
Rot. Bonds5

About ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate

ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate (PubChem CID 31692902) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate
PubChem CID31692902
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Nameethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCC(=O)NC(=O)NC2CCCC2)CC1
InChIInChI=1S/C16H28N4O4/c1-2-24-16(23)20-11-9-19(10-12-20)8-7-14(21)18-15(22)17-13-5-3-4-6-13/h13H,2-12H2,1H3,(H2,17,18,21,22)
InChIKeyIBGGKXXUHJEUOX-UHFFFAOYSA-N
XLogP0.92
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 51077572
ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate
CID 109017978
N-(cyclopentylcarbamoyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 31698296
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate
CID 109029138
tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate
CID 34196633
ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012603
ethyl 4-[3-(butylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012229
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate
CID 78973033
ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate
CID 110305640
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate (CID 31692902) is ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CCC(=O)NC(=O)NC2CCCC2)CC1.
What is the InChIKey of ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate?
The InChIKey is IBGGKXXUHJEUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-2-24-16(23)20-11-9-19(10-12-20)8-7-14(21)18-15(22)17-13-5-3-4-6-13/h13H,2-12H2,1H3,(H2,17,18,21,22).
What are the key properties of ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate?
ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate is sourced from PubChem (CID 31692902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).