2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide

C13H23N5O2 — CID 119115989

IUPAC2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide
SMILESC/N=C(\NCC(=O)NC1CC1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C13H23N5O2/c1-10(19)17-5-7-18(8-6-17)13(14-2)15-9-12(20)16-11-3-4-11/h11H,3-9H2,1-2H3,(H,14,15)(H,16,20)
InChIKeyRPNHUICXVWLDFG-UHFFFAOYSA-N
MW281.36 g/mol
LogP-1.00
Rot. Bonds3

About 2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide

2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide (PubChem CID 119115989) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide
PubChem CID119115989
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide
SMILESC/N=C(\NCC(=O)NC1CC1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C13H23N5O2/c1-10(19)17-5-7-18(8-6-17)13(14-2)15-9-12(20)16-11-3-4-11/h11H,3-9H2,1-2H3,(H,14,15)(H,16,20)
InChIKeyRPNHUICXVWLDFG-UHFFFAOYSA-N
XLogP-1.00
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide 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

2-[(1-acetylpiperidin-4-yl)amino]-N-cyclopropylacetamide
CID 43231891
2-[[C-(4-benzylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclohexylacetamide;hydroiodide
CID 110959918
N-cyclopropyl-2-[[N-methyl-C-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]carbonimidoyl]amino]acetamide
CID 119143872
N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
CID 109454236
N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide
CID 110934905
N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 109454235
N-cyclohexyl-2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]acetamide
CID 109436435
N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide
CID 131225012
3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide
CID 108944903
N-cyclohexyl-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 119131285
2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-(3-fluorophenyl)acetamide
CID 119115845
N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 111154151

Frequently Asked Questions

What is the IUPAC name of 2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide (CID 119115989) is 2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide is C/N=C(\NCC(=O)NC1CC1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide?
The InChIKey is RPNHUICXVWLDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-10(19)17-5-7-18(8-6-17)13(14-2)15-9-12(20)16-11-3-4-11/h11H,3-9H2,1-2H3,(H,14,15)(H,16,20).
What are the key properties of 2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide?
2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide has a molecular weight of 281.36 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide is sourced from PubChem (CID 119115989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).