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

C18H20N2O3 — CID 16613592

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-4-6-14(7-5-13)17(21)19-15-8-10-20(11-9-15)18(22)16-3-2-12-23-16/h2-7,12,15H,8-11H2,1H3,(H,19,21)
InChIKeyGVUIRFGQEAYZKJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.62
Rot. Bonds3

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

N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide (PubChem CID 16613592) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
PubChem CID16613592
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-4-6-14(7-5-13)17(21)19-15-8-10-20(11-9-15)18(22)16-3-2-12-23-16/h2-7,12,15H,8-11H2,1H3,(H,19,21)
InChIKeyGVUIRFGQEAYZKJ-UHFFFAOYSA-N
XLogP2.62
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 16606706
3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 55634715
ethyl [4-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108548603
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide
CID 134000252
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-phenylmethoxybenzamide
CID 16606665
N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108550026
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]furan-2-carboxamide
CID 110821547
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 110820463
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dinitrobenzamide
CID 134000280
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide (CID 16613592) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide?
The InChIKey is GVUIRFGQEAYZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-4-6-14(7-5-13)17(21)19-15-8-10-20(11-9-15)18(22)16-3-2-12-23-16/h2-7,12,15H,8-11H2,1H3,(H,19,21).
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 16613592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).