ethyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate

C13H22N2O3 — CID 54156087

IUPACethyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(=O)CC2)CC1
InChIInChI=1S/C13H22N2O3/c1-2-18-13(17)15-7-3-11(4-8-15)14-9-5-12(16)6-10-14/h11H,2-10H2,1H3
InChIKeyOLDIIAVBFSURMN-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.27
Rot. Bonds2

About ethyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate

ethyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 54156087) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate
PubChem CID54156087
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameethyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(=O)CC2)CC1
InChIInChI=1S/C13H22N2O3/c1-2-18-13(17)15-7-3-11(4-8-15)14-9-5-12(16)6-10-14/h11H,2-10H2,1H3
InChIKeyOLDIIAVBFSURMN-UHFFFAOYSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate (CID 54156087) is ethyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(=O)CC2)CC1.
What is the InChIKey of ethyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is OLDIIAVBFSURMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-18-13(17)15-7-3-11(4-8-15)14-9-5-12(16)6-10-14/h11H,2-10H2,1H3.
What are the key properties of ethyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate?
ethyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 54156087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).