ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate

C13H16ClNO4 — CID 106688676

IUPACethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2ccoc2Cl)C1
InChIInChI=1S/C13H16ClNO4/c1-2-18-13(17)9-4-3-6-15(8-9)12(16)10-5-7-19-11(10)14/h5,7,9H,2-4,6,8H2,1H3/t9-/m1/s1
InChIKeyQQIYJYPGWSAZAS-SECBINFHSA-N
MW285.73 g/mol
LogP2.35
Rot. Bonds3

About ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate

ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate (PubChem CID 106688676) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
PubChem CID106688676
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Nameethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2ccoc2Cl)C1
InChIInChI=1S/C13H16ClNO4/c1-2-18-13(17)9-4-3-6-15(8-9)12(16)10-5-7-19-11(10)14/h5,7,9H,2-4,6,8H2,1H3/t9-/m1/s1
InChIKeyQQIYJYPGWSAZAS-SECBINFHSA-N
XLogP2.35
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate
CID 103873858
(2-chlorofuran-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 106687373
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl (3S)-1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylate
CID 81338377
ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate
CID 60859036
N-(2-aminoethyl)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxamide
CID 106688486
ethyl (3S)-1-(2-chloro-3-fluorobenzoyl)piperidine-3-carboxylate
CID 81338267
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3S)-1-(2-iodobenzoyl)piperidine-3-carboxylate
CID 1345981
ethyl (3R)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338523

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate (CID 106688676) is ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)c2ccoc2Cl)C1.
What is the InChIKey of ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is QQIYJYPGWSAZAS-SECBINFHSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-2-18-13(17)9-4-3-6-15(8-9)12(16)10-5-7-19-11(10)14/h5,7,9H,2-4,6,8H2,1H3/t9-/m1/s1.
What are the key properties of ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate?
ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 285.73 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 106688676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).