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

C13H17NO4 — CID 2905494

IUPACethyl 1-(furan-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C13H17NO4/c1-2-17-13(16)10-5-3-7-14(9-10)12(15)11-6-4-8-18-11/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKeyHKZQPMNEFHYXNV-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.69
Rot. Bonds3

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

ethyl 1-(furan-2-carbonyl)piperidine-3-carboxylate (PubChem CID 2905494) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl 1-(furan-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(furan-2-carbonyl)piperidine-3-carboxylate
PubChem CID2905494
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameethyl 1-(furan-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C13H17NO4/c1-2-17-13(16)10-5-3-7-14(9-10)12(15)11-6-4-8-18-11/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKeyHKZQPMNEFHYXNV-UHFFFAOYSA-N
XLogP1.69
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(furan-2-carbonyl)piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Furoyl)Glycine
CID 21863
1-(2-Furoyl)piperazine
CID 550206
4-(Furan-2-carbonyl)piperazine-1-carboxamide
CID 762331
4-Acetyl 1-(2-furoyl)piperazine
CID 565340
1-(5-Methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 573285
N-(2-Furoyl)glycine methyl ester
CID 518748
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 694979
N-(1,2,2,6,6-pentamethyl-4-piperidinyl)-2-furamide
CID 723466
1-[4-(2-Furoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 750519
1-[(2,2-Dibromo-1-methylcyclopropyl)carbonyl]-4-(2-furoyl)piperazine
CID 3440389
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3158289
Phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 3758798

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(furan-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(furan-2-carbonyl)piperidine-3-carboxylate (CID 2905494) is ethyl 1-(furan-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(furan-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(furan-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of ethyl 1-(furan-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is HKZQPMNEFHYXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-17-13(16)10-5-3-7-14(9-10)12(15)11-6-4-8-18-11/h4,6,8,10H,2-3,5,7,9H2,1H3.
What are the key properties of ethyl 1-(furan-2-carbonyl)piperidine-3-carboxylate?
ethyl 1-(furan-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(furan-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 2905494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).