ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate

C20H29N3O5 — CID 109147778

IUPACethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCC(C(=O)NCc3ccco3)CC2)CC1
InChIInChI=1S/C20H29N3O5/c1-2-27-20(26)23-11-9-22(10-12-23)19(25)16-7-5-15(6-8-16)18(24)21-14-17-4-3-13-28-17/h3-4,13,15-16H,2,5-12,14H2,1H3,(H,21,24)
InChIKeyNHYUQEMONRPDPF-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.00
Rot. Bonds5

About ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate

ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate (PubChem CID 109147778) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
PubChem CID109147778
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Nameethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCC(C(=O)NCc3ccco3)CC2)CC1
InChIInChI=1S/C20H29N3O5/c1-2-27-20(26)23-11-9-22(10-12-23)19(25)16-7-5-15(6-8-16)18(24)21-14-17-4-3-13-28-17/h3-4,13,15-16H,2,5-12,14H2,1H3,(H,21,24)
InChIKeyNHYUQEMONRPDPF-UHFFFAOYSA-N
XLogP2.00
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 95563646
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109155401
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
ethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8772796
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 17118927
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131808
ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109117552
1-N-[(1-ethylcyclobutyl)methyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 75377699

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate (CID 109147778) is ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCC(C(=O)NCc3ccco3)CC2)CC1.
What is the InChIKey of ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate?
The InChIKey is NHYUQEMONRPDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-2-27-20(26)23-11-9-22(10-12-23)19(25)16-7-5-15(6-8-16)18(24)21-14-17-4-3-13-28-17/h3-4,13,15-16H,2,5-12,14H2,1H3,(H,21,24).
What are the key properties of ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate?
ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109147778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).