N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide

C20H23N3O4 — CID 39757861

IUPACN-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide
SMILESO=C(NCCCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccco1
InChIInChI=1S/C20H23N3O4/c24-18(9-4-10-21-19(25)17-8-5-15-27-17)22-11-13-23(14-12-22)20(26)16-6-2-1-3-7-16/h1-3,5-8,15H,4,9-14H2,(H,21,25)
InChIKeyZLKBNWYXUPAUTM-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.77
Rot. Bonds6

About N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide

N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide (PubChem CID 39757861) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide
PubChem CID39757861
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide
SMILESO=C(NCCCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccco1
InChIInChI=1S/C20H23N3O4/c24-18(9-4-10-21-19(25)17-8-5-15-27-17)22-11-13-23(14-12-22)20(26)16-6-2-1-3-7-16/h1-3,5-8,15H,4,9-14H2,(H,21,25)
InChIKeyZLKBNWYXUPAUTM-UHFFFAOYSA-N
XLogP1.77
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]furan-2-carboxamide
CID 35811729
N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
CID 35349485
N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 79030088
N-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
CID 134045130
N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 24682710
N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]furan-2-carboxamide
CID 43044219
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 27851017
N-[4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]butyl]benzamide
CID 31952128
N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide
CID 51318960
N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 110807717
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide (CID 39757861) is N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide is O=C(NCCCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccco1.
What is the InChIKey of N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide?
The InChIKey is ZLKBNWYXUPAUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-18(9-4-10-21-19(25)17-8-5-15-27-17)22-11-13-23(14-12-22)20(26)16-6-2-1-3-7-16/h1-3,5-8,15H,4,9-14H2,(H,21,25).
What are the key properties of N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide?
N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 39757861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).