[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate

C20H22N2O5 — CID 7734234

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
SMILESCC1CCN(C(=O)COC(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C20H22N2O5/c1-14-8-10-22(11-9-14)18(23)13-27-20(25)15-4-6-16(7-5-15)21-19(24)17-3-2-12-26-17/h2-7,12,14H,8-11,13H2,1H3,(H,21,24)
InChIKeyITXYDNVKVFCNTG-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.95
Rot. Bonds5

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate (PubChem CID 7734234) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
PubChem CID7734234
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
SMILESCC1CCN(C(=O)COC(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C20H22N2O5/c1-14-8-10-22(11-9-14)18(23)13-27-20(25)15-4-6-16(7-5-15)21-19(24)17-3-2-12-26-17/h2-7,12,14H,8-11,13H2,1H3,(H,21,24)
InChIKeyITXYDNVKVFCNTG-UHFFFAOYSA-N
XLogP2.95
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909190
[2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909209
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2548847
2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate
CID 17296731
ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate
CID 27555217
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909155
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195508
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2388350
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate
CID 2387369
hexyl 4-(furan-2-carbonylamino)benzoate
CID 19170342
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-acetamidobenzoate
CID 4652070

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate (CID 7734234) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate is CC1CCN(C(=O)COC(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?
The InChIKey is ITXYDNVKVFCNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-14-8-10-22(11-9-14)18(23)13-27-20(25)15-4-6-16(7-5-15)21-19(24)17-3-2-12-26-17/h2-7,12,14H,8-11,13H2,1H3,(H,21,24).
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate has a molecular weight of 370.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 7734234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).