5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide

C16H17N3O3 — CID 46473375

IUPAC5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)o1
InChIInChI=1S/C16H17N3O3/c1-11-2-7-14(22-11)16(21)18-12-3-5-13(6-4-12)19-9-8-17-15(20)10-19/h2-7H,8-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyFGLDFNDXVWPCRV-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.78
Rot. Bonds3

About 5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide

5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 46473375) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide
PubChem CID46473375
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)o1
InChIInChI=1S/C16H17N3O3/c1-11-2-7-14(22-11)16(21)18-12-3-5-13(6-4-12)19-9-8-17-15(20)10-19/h2-7H,8-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyFGLDFNDXVWPCRV-UHFFFAOYSA-N
XLogP1.78
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrole-2-carboxamide
CID 78875733
3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 51105836
4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46473729
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46468087
4-(4-ethylphenyl)piperazin-2-one
CID 117005105
N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 78876546
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 46485397
N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78883362
5-methyl-N-pyridin-4-ylfuran-2-carboxamide
CID 897103
1-benzyl-5-ethyl-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrazole-4-carboxamide
CID 78876541
N-[3-[[[4-(3-oxopiperazin-1-yl)phenyl]methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 38314914
5-methyl-N-(5-piperazin-1-yl-2-pyridinyl)furan-2-carboxamide
CID 119494477

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide (CID 46473375) is 5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)o1.
What is the InChIKey of 5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is FGLDFNDXVWPCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-2-7-14(22-11)16(21)18-12-3-5-13(6-4-12)19-9-8-17-15(20)10-19/h2-7H,8-10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide?
5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 46473375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).