ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate

C14H25NO4 — CID 115538013

IUPACethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)CC(C)N1CCC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C14H25NO4/c1-4-18-13(16)9-11(3)15-8-6-7-12(10-15)14(17)19-5-2/h11-12H,4-10H2,1-3H3/t11?,12-/m1/s1
InChIKeyUBTSVQPVIQCCKN-PIJUOVFKSA-N
MW271.36 g/mol
LogP1.60
Rot. Bonds6

About ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate

ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate (PubChem CID 115538013) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
PubChem CID115538013
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)CC(C)N1CCC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C14H25NO4/c1-4-18-13(16)9-11(3)15-8-6-7-12(10-15)14(17)19-5-2/h11-12H,4-10H2,1-3H3/t11?,12-/m1/s1
InChIKeyUBTSVQPVIQCCKN-PIJUOVFKSA-N
XLogP1.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 62028790
ethyl (3R)-1-(4-methoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 113331162
ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate
CID 63383254
ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate
CID 102984888
ethyl 1-(1-ethoxy-1-oxobutan-2-yl)piperidine-3-carboxylate
CID 64663416
ethyl (3S)-1-[1-(dimethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338312
ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81360759
2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid
CID 83043141
ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate
CID 79935337
ethyl (3R)-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338323
ethyl (3S)-1-hydroxypiperidine-3-carboxylate
CID 142359331
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate (CID 115538013) is ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate is CCOC(=O)CC(C)N1CCC[C@@H](C(=O)OCC)C1.
What is the InChIKey of ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate?
The InChIKey is UBTSVQPVIQCCKN-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-18-13(16)9-11(3)15-8-6-7-12(10-15)14(17)19-5-2/h11-12H,4-10H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate?
ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate is sourced from PubChem (CID 115538013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).