N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide

C20H23N3O4 — CID 7333667

IUPACN-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C20H23N3O4/c1-2-4-18(24)21-16-8-6-15(7-9-16)19(25)22-10-12-23(13-11-22)20(26)17-5-3-14-27-17/h3,5-9,14H,2,4,10-13H2,1H3,(H,21,24)
InChIKeyCLMMXVFWCKOALI-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.62
Rot. Bonds5

About N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide

N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide (PubChem CID 7333667) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide
PubChem CID7333667
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C20H23N3O4/c1-2-4-18(24)21-16-8-6-15(7-9-16)19(25)22-10-12-23(13-11-22)20(26)17-5-3-14-27-17/h3,5-9,14H,2,4,10-13H2,1H3,(H,21,24)
InChIKeyCLMMXVFWCKOALI-UHFFFAOYSA-N
XLogP2.62
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030213
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide
CID 17236050
N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37376304
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide
CID 108544713
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878
N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932752

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide?
The IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide (CID 7333667) is N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide?
The canonical SMILES for N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide?
The InChIKey is CLMMXVFWCKOALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-2-4-18(24)21-16-8-6-15(7-9-16)19(25)22-10-12-23(13-11-22)20(26)17-5-3-14-27-17/h3,5-9,14H,2,4,10-13H2,1H3,(H,21,24).
What are the key properties of N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide?
N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide has a molecular weight of 369.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide is sourced from PubChem (CID 7333667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).