piperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate

C18H20N2O4 — CID 75430151

IUPACpiperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate
SMILESCc1ccoc1C(=O)Nc1ccc(C(=O)OC2CCNCC2)cc1
InChIInChI=1S/C18H20N2O4/c1-12-8-11-23-16(12)17(21)20-14-4-2-13(3-5-14)18(22)24-15-6-9-19-10-7-15/h2-5,8,11,15,19H,6-7,9-10H2,1H3,(H,20,21)
InChIKeyPDJUMUFYZDLSBY-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.75
Rot. Bonds4

About piperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate

piperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate (PubChem CID 75430151) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is piperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepiperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate
PubChem CID75430151
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namepiperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate
SMILESCc1ccoc1C(=O)Nc1ccc(C(=O)OC2CCNCC2)cc1
InChIInChI=1S/C18H20N2O4/c1-12-8-11-23-16(12)17(21)20-14-4-2-13(3-5-14)18(22)24-15-6-9-19-10-7-15/h2-5,8,11,15,19H,6-7,9-10H2,1H3,(H,20,21)
InChIKeyPDJUMUFYZDLSBY-UHFFFAOYSA-N
XLogP2.75
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 91645336
piperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride
CID 75430125
piperidin-4-yl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
CID 75430153
piperidin-4-yl 4-fluorobenzoate
CID 22921983
piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate
CID 86813781
N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 16772874
cyclobutyl 3-methylfuran-2-carboxylate
CID 131114203
3-methyl-N-(4-propan-2-yloxyphenyl)furan-2-carboxamide
CID 110695656
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 102560121
cyclododecyl 4-acetamidobenzoate
CID 3973983
piperidin-4-yl pyridine-4-carboxylate
CID 53410138

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate?
The IUPAC name of piperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate (CID 75430151) is piperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate.
What is the SMILES notation for piperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate?
The canonical SMILES for piperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate is Cc1ccoc1C(=O)Nc1ccc(C(=O)OC2CCNCC2)cc1.
What is the InChIKey of piperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate?
The InChIKey is PDJUMUFYZDLSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-8-11-23-16(12)17(21)20-14-4-2-13(3-5-14)18(22)24-15-6-9-19-10-7-15/h2-5,8,11,15,19H,6-7,9-10H2,1H3,(H,20,21).
What are the key properties of piperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate?
piperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate has a molecular weight of 328.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate is sourced from PubChem (CID 75430151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).