methyl 4-(cyclopentanecarbonyl)piperazine-1-carboxylate

C12H20N2O3 — CID 71684143

IUPACmethyl 4-(cyclopentanecarbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C12H20N2O3/c1-17-12(16)14-8-6-13(7-9-14)11(15)10-4-2-3-5-10/h10H,2-9H2,1H3
InChIKeyWZFIFVFABSQAPW-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.09
Rot. Bonds1

About methyl 4-(cyclopentanecarbonyl)piperazine-1-carboxylate

methyl 4-(cyclopentanecarbonyl)piperazine-1-carboxylate (PubChem CID 71684143) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 4-(cyclopentanecarbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclopentanecarbonyl)piperazine-1-carboxylate
PubChem CID71684143
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 4-(cyclopentanecarbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C12H20N2O3/c1-17-12(16)14-8-6-13(7-9-14)11(15)10-4-2-3-5-10/h10H,2-9H2,1H3
InChIKeyWZFIFVFABSQAPW-UHFFFAOYSA-N
XLogP1.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopentanecarbonyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(cyclopentanecarbonyl)piperazine-1-carboxylate (CID 71684143) is methyl 4-(cyclopentanecarbonyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(cyclopentanecarbonyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(cyclopentanecarbonyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of methyl 4-(cyclopentanecarbonyl)piperazine-1-carboxylate?
The InChIKey is WZFIFVFABSQAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-17-12(16)14-8-6-13(7-9-14)11(15)10-4-2-3-5-10/h10H,2-9H2,1H3.
What are the key properties of methyl 4-(cyclopentanecarbonyl)piperazine-1-carboxylate?
methyl 4-(cyclopentanecarbonyl)piperazine-1-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopentanecarbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 71684143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).