CID 58731641

C8H14N2O2 — CID 58731641

IUPAC—
SMILES[CH]N1CCN(C(=O)OCC)CC1
InChIInChI=1S/C8H14N2O2/c1-3-12-8(11)10-6-4-9(2)5-7-10/h2H,3-7H2,1H3
InChIKeyXFNCYWCPPUHCEC-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.43
Rot. Bonds1

About CID 58731641

CID 58731641 (PubChem CID 58731641) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol.

Molecular Properties

Compound NameCID 58731641
PubChem CID58731641
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name—
SMILES[CH]N1CCN(C(=O)OCC)CC1
InChIInChI=1S/C8H14N2O2/c1-3-12-8(11)10-6-4-9(2)5-7-10/h2H,3-7H2,1H3
InChIKeyXFNCYWCPPUHCEC-UHFFFAOYSA-N
XLogP0.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-carbamoylpiperazine-1-carboxylate
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ethyl azetidine-1-carboxylate
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ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride
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ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
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ethyl pyrrolidine-1-carboxylate;methanol
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ethyl azacycloundecane-1-carboxylate
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bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate
CID 175064329
ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
CID 28507309
ethyl 4-formylpiperazine-1-carboxylate
CID 14972642
CID 58181055
CID 58181055
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
ethyl 4-[(E)-2-methylbut-2-enyl]piperazine-1-carboxylate
CID 783685

Frequently Asked Questions

What is the IUPAC name of CID 58731641?
The IUPAC name of CID 58731641 (CID 58731641) is not available.
What is the SMILES notation for CID 58731641?
The canonical SMILES for CID 58731641 is [CH]N1CCN(C(=O)OCC)CC1.
What is the InChIKey of CID 58731641?
The InChIKey is XFNCYWCPPUHCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-12-8(11)10-6-4-9(2)5-7-10/h2H,3-7H2,1H3.
What are the key properties of CID 58731641?
CID 58731641 has a molecular weight of 170.21 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58731641 is sourced from PubChem (CID 58731641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).