N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide

C13H19N3O3 — CID 63872942

IUPACN-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide
SMILESCC1CN(CC(=O)NC(=O)c2ccco2)CC(C)N1
InChIInChI=1S/C13H19N3O3/c1-9-6-16(7-10(2)14-9)8-12(17)15-13(18)11-4-3-5-19-11/h3-5,9-10,14H,6-8H2,1-2H3,(H,15,17,18)
InChIKeyNBQOAIBARAPEOQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.22
Rot. Bonds3

About N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide

N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide (PubChem CID 63872942) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide
PubChem CID63872942
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide
SMILESCC1CN(CC(=O)NC(=O)c2ccco2)CC(C)N1
InChIInChI=1S/C13H19N3O3/c1-9-6-16(7-10(2)14-9)8-12(17)15-13(18)11-4-3-5-19-11/h3-5,9-10,14H,6-8H2,1-2H3,(H,15,17,18)
InChIKeyNBQOAIBARAPEOQ-UHFFFAOYSA-N
XLogP0.22
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide
CID 66196197
N-(2-piperazin-1-ylacetyl)furan-2-carboxamide
CID 43162394
N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide
CID 43556804
methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 115537539
S-[2-(furan-2-carbonylamino)-2-oxoethyl] ethanethioate
CID 23347862
N-(2,6-dimethylphenyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 22273392
2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 63874471
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872575
N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide
CID 102681654
N-(1-ethylazetidin-3-yl)furan-2-carboxamide
CID 130639837
N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide
CID 116637783
N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide
CID 110865978

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide (CID 63872942) is N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide is CC1CN(CC(=O)NC(=O)c2ccco2)CC(C)N1.
What is the InChIKey of N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide?
The InChIKey is NBQOAIBARAPEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-6-16(7-10(2)14-9)8-12(17)15-13(18)11-4-3-5-19-11/h3-5,9-10,14H,6-8H2,1-2H3,(H,15,17,18).
What are the key properties of N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide?
N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide is sourced from PubChem (CID 63872942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).