N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide

C18H20N2O4 — CID 134000252

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NC2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C18H20N2O4/c1-12-4-5-15(21)14(11-12)17(22)19-13-6-8-20(9-7-13)18(23)16-3-2-10-24-16/h2-5,10-11,13,21H,6-9H2,1H3,(H,19,22)
InChIKeyPTIKMTFOIYFZAD-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.33
Rot. Bonds3

About N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide

N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide (PubChem CID 134000252) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide
PubChem CID134000252
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NC2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C18H20N2O4/c1-12-4-5-15(21)14(11-12)17(22)19-13-6-8-20(9-7-13)18(23)16-3-2-10-24-16/h2-5,10-11,13,21H,6-9H2,1H3,(H,19,22)
InChIKeyPTIKMTFOIYFZAD-UHFFFAOYSA-N
XLogP2.33
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508
N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1H-indazole-3-carboxamide
CID 78868846
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 18149437
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
1-(2,5-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46519529
4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 78836748
4-fluoro-N-[1-(2-hydroxy-5-methylbenzoyl)piperidin-4-yl]benzamide
CID 32507439
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide
CID 46585539
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 16606706

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide (CID 134000252) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NC2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide?
The InChIKey is PTIKMTFOIYFZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-4-5-15(21)14(11-12)17(22)19-13-6-8-20(9-7-13)18(23)16-3-2-10-24-16/h2-5,10-11,13,21H,6-9H2,1H3,(H,19,22).
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide has a molecular weight of 328.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 134000252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).