ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate

C15H24N2O4 — CID 110689806

IUPACethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C15H24N2O4/c1-2-21-15(20)12-6-5-9-16(10-12)14(19)11-17-8-4-3-7-13(17)18/h12H,2-11H2,1H3
InChIKeyICFGQIYLGBAHOL-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.80
Rot. Bonds4

About ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate (PubChem CID 110689806) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
PubChem CID110689806
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nameethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C15H24N2O4/c1-2-21-15(20)12-6-5-9-16(10-12)14(19)11-17-8-4-3-7-13(17)18/h12H,2-11H2,1H3
InChIKeyICFGQIYLGBAHOL-UHFFFAOYSA-N
XLogP0.80
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 86982347
ethyl (3S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylate
CID 81338507
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733697
ethyl 1-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylate
CID 55377333
N-(2-aminoethyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxamide
CID 119481485
ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate
CID 61340322
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate
CID 43130738
1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one
CID 56783393
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
ethyl 1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylate
CID 43424047

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate (CID 110689806) is ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CN2CCCCC2=O)C1.
What is the InChIKey of ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate?
The InChIKey is ICFGQIYLGBAHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-2-21-15(20)12-6-5-9-16(10-12)14(19)11-17-8-4-3-7-13(17)18/h12H,2-11H2,1H3.
What are the key properties of ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 110689806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).