ethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate

C12H16N2O4 — CID 565339

IUPACethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C12H16N2O4/c1-2-17-12(16)14-7-5-13(6-8-14)11(15)10-4-3-9-18-10/h3-4,9H,2,5-8H2,1H3
InChIKeyALIVZSHEANRYOQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.19
Rot. Bonds2

About ethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate (PubChem CID 565339) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
PubChem CID565339
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Nameethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C12H16N2O4/c1-2-17-12(16)14-7-5-13(6-8-14)11(15)10-4-3-9-18-10/h3-4,9H,2,5-8H2,1H3
InChIKeyALIVZSHEANRYOQ-UHFFFAOYSA-N
XLogP1.19
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylfuran-2-yl)-methanone
CID 11244101
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 694979
(4-Benzenesulfonyl-piperazin-1-yl)-furan-2-yl-methanone
CID 719657
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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate (CID 565339) is ethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of ethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is ALIVZSHEANRYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-17-12(16)14-7-5-13(6-8-14)11(15)10-4-3-9-18-10/h3-4,9H,2,5-8H2,1H3.
What are the key properties of ethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(furan-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 565339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).