ethyl 4-oxopiperidine-1-carboxylate;methane

C9H17NO3 — CID 143127714

IUPACethyl 4-oxopiperidine-1-carboxylate;methane
SMILESC.CCOC(=O)N1CCC(=O)CC1
InChIInChI=1S/C8H13NO3.CH4/c1-2-12-8(11)9-5-3-7(10)4-6-9;/h2-6H2,1H3;1H4
InChIKeyMRGUNBDEFJKKAD-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.44
Rot. Bonds1

About ethyl 4-oxopiperidine-1-carboxylate;methane

ethyl 4-oxopiperidine-1-carboxylate;methane (PubChem CID 143127714) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 4-oxopiperidine-1-carboxylate;methane.

Molecular Properties

Compound Nameethyl 4-oxopiperidine-1-carboxylate;methane
PubChem CID143127714
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 4-oxopiperidine-1-carboxylate;methane
SMILESC.CCOC(=O)N1CCC(=O)CC1
InChIInChI=1S/C8H13NO3.CH4/c1-2-12-8(11)9-5-3-7(10)4-6-9;/h2-6H2,1H3;1H4
InChIKeyMRGUNBDEFJKKAD-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxopiperidine-1-carboxylate;methane?
The IUPAC name of ethyl 4-oxopiperidine-1-carboxylate;methane (CID 143127714) is ethyl 4-oxopiperidine-1-carboxylate;methane.
What is the SMILES notation for ethyl 4-oxopiperidine-1-carboxylate;methane?
The canonical SMILES for ethyl 4-oxopiperidine-1-carboxylate;methane is C.CCOC(=O)N1CCC(=O)CC1.
What is the InChIKey of ethyl 4-oxopiperidine-1-carboxylate;methane?
The InChIKey is MRGUNBDEFJKKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.CH4/c1-2-12-8(11)9-5-3-7(10)4-6-9;/h2-6H2,1H3;1H4.
What are the key properties of ethyl 4-oxopiperidine-1-carboxylate;methane?
ethyl 4-oxopiperidine-1-carboxylate;methane has a molecular weight of 187.24 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxopiperidine-1-carboxylate;methane is sourced from PubChem (CID 143127714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).