piperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate

C19H22N2O4 — CID 91645333

IUPACpiperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate
SMILESCCc1ccc(C(=O)Nc2cccc(C(=O)OC3CCNCC3)c2)o1
InChIInChI=1S/C19H22N2O4/c1-2-15-6-7-17(24-15)18(22)21-14-5-3-4-13(12-14)19(23)25-16-8-10-20-11-9-16/h3-7,12,16,20H,2,8-11H2,1H3,(H,21,22)
InChIKeyJAIWCAOONKGHTA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.00
Rot. Bonds5

About piperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate

piperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate (PubChem CID 91645333) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is piperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepiperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate
PubChem CID91645333
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namepiperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate
SMILESCCc1ccc(C(=O)Nc2cccc(C(=O)OC3CCNCC3)c2)o1
InChIInChI=1S/C19H22N2O4/c1-2-15-6-7-17(24-15)18(22)21-14-5-3-4-13(12-14)19(23)25-16-8-10-20-11-9-16/h3-7,12,16,20H,2,8-11H2,1H3,(H,21,22)
InChIKeyJAIWCAOONKGHTA-UHFFFAOYSA-N
XLogP3.00
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 102560121
piperidin-4-yl 3-[[2-[4-[(4-bromobenzoyl)amino]phenyl]acetyl]amino]benzoate
CID 166329576
5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 110697812
N-(4-amino-3-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79094156
5-ethyl-N-[3-(sulfamoylmethyl)phenyl]furan-2-carboxamide
CID 60610670
5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide
CID 78878517
N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 53054149
methyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate
CID 34059859
(3-cyclopropyloxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 115813103
N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 35336962
(2S)-1-[[3-[(5-ethylfuran-2-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52730298
5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119550751

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate?
The IUPAC name of piperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate (CID 91645333) is piperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate.
What is the SMILES notation for piperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate?
The canonical SMILES for piperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate is CCc1ccc(C(=O)Nc2cccc(C(=O)OC3CCNCC3)c2)o1.
What is the InChIKey of piperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate?
The InChIKey is JAIWCAOONKGHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-2-15-6-7-17(24-15)18(22)21-14-5-3-4-13(12-14)19(23)25-16-8-10-20-11-9-16/h3-7,12,16,20H,2,8-11H2,1H3,(H,21,22).
What are the key properties of piperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate?
piperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate has a molecular weight of 342.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 3-[(5-ethylfuran-2-carbonyl)amino]benzoate is sourced from PubChem (CID 91645333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).