ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate

C14H19NO4 — CID 43406992

IUPACethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccoc2C)C1
InChIInChI=1S/C14H19NO4/c1-3-18-14(17)11-5-4-7-15(9-11)13(16)12-6-8-19-10(12)2/h6,8,11H,3-5,7,9H2,1-2H3
InChIKeyRCDNBXQABVUMBH-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.00
Rot. Bonds3

About ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate

ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate (PubChem CID 43406992) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
PubChem CID43406992
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccoc2C)C1
InChIInChI=1S/C14H19NO4/c1-3-18-14(17)11-5-4-7-15(9-11)13(16)12-6-8-19-10(12)2/h6,8,11H,3-5,7,9H2,1-2H3
InChIKeyRCDNBXQABVUMBH-UHFFFAOYSA-N
XLogP2.00
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
CID 106688676
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide
CID 42780033
(4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 7419606
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
ethyl (3R)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338523
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 42780034
ethyl (3S)-1-(2-iodobenzoyl)piperidine-3-carboxylate
CID 1345981
ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 43409448
ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 42779984
ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
CID 39950024

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate (CID 43406992) is ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccoc2C)C1.
What is the InChIKey of ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is RCDNBXQABVUMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-18-14(17)11-5-4-7-15(9-11)13(16)12-6-8-19-10(12)2/h6,8,11H,3-5,7,9H2,1-2H3.
What are the key properties of ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate?
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 43406992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).