1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide

C21H24N4O4 — CID 46467939

IUPAC1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)cc2)CCN1
InChIInChI=1S/C21H24N4O4/c26-19-14-25(12-9-22-19)17-5-3-16(4-6-17)23-20(27)15-7-10-24(11-8-15)21(28)18-2-1-13-29-18/h1-6,13,15H,7-12,14H2,(H,22,26)(H,23,27)
InChIKeyBBIOFIQVUKGARH-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.71
Rot. Bonds4

About 1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 46467939) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID46467939
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)cc2)CCN1
InChIInChI=1S/C21H24N4O4/c26-19-14-25(12-9-22-19)17-5-3-16(4-6-17)23-20(27)15-7-10-24(11-8-15)21(28)18-2-1-13-29-18/h1-6,13,15H,7-12,14H2,(H,22,26)(H,23,27)
InChIKeyBBIOFIQVUKGARH-UHFFFAOYSA-N
XLogP1.71
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
CID 112984587
1-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 6497474
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 39279841
N-[4-(cyanomethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 78813860
4-(furan-2-carbonyl)-N'-methyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111167040
S-[4-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529937
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17081719
1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-4-carboxamide
CID 6497485
1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 55567441
4-(furan-2-carbonyl)-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
CID 91667383
methyl 2-[[4-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate
CID 46828250

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide (CID 46467939) is 1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide is O=C1CN(c2ccc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)cc2)CCN1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is BBIOFIQVUKGARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c26-19-14-25(12-9-22-19)17-5-3-16(4-6-17)23-20(27)15-7-10-24(11-8-15)21(28)18-2-1-13-29-18/h1-6,13,15H,7-12,14H2,(H,22,26)(H,23,27).
What are the key properties of 1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 46467939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).