N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

C18H19N3O4 — CID 2204977

IUPACN-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H19N3O4/c1-13(22)14-4-6-15(7-5-14)19-18(24)21-10-8-20(9-11-21)17(23)16-3-2-12-25-16/h2-7,12H,8-11H2,1H3,(H,19,24)
InChIKeyNBUJWVYKZBDKRR-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.47
Rot. Bonds3

About N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 2204977) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID2204977
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H19N3O4/c1-13(22)14-4-6-15(7-5-14)19-18(24)21-10-8-20(9-11-21)17(23)16-3-2-12-25-16/h2-7,12H,8-11H2,1H3,(H,19,24)
InChIKeyNBUJWVYKZBDKRR-UHFFFAOYSA-N
XLogP2.47
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 108886897
4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 47033198
N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide
CID 7333667
9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234137
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
4-(furan-2-carbonyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 52624883
(3Z)-1-(4-acetylphenyl)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]-[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]thiourea
CID 17090941
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 60545586
4-(furan-2-carbonyl)-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
CID 91667383
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-2-oxoacetamide
CID 108502139
N-(4-tert-butylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108529847
N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2100948

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 2204977) is N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is NBUJWVYKZBDKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-13(22)14-4-6-15(7-5-14)19-18(24)21-10-8-20(9-11-21)17(23)16-3-2-12-25-16/h2-7,12H,8-11H2,1H3,(H,19,24).
What are the key properties of N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 2204977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).