3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide

C17H26FN5O — CID 111148259

IUPAC3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide
SMILESC/N=C(\NCCC(=O)N(C)C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H26FN5O/c1-19-17(20-9-8-16(24)21(2)3)23-12-10-22(11-13-23)15-7-5-4-6-14(15)18/h4-7H,8-13H2,1-3H3,(H,19,20)
InChIKeyBMHYXTGZSBZTMX-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.00
Rot. Bonds4

About 3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide

3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide (PubChem CID 111148259) has the molecular formula C17H26FN5O and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide
PubChem CID111148259
Molecular FormulaC17H26FN5O
Molecular Weight335.43 g/mol
Exact Mass335.21
IUPAC Name3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide
SMILESC/N=C(\NCCC(=O)N(C)C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H26FN5O/c1-19-17(20-9-8-16(24)21(2)3)23-12-10-22(11-13-23)15-7-5-4-6-14(15)18/h4-7H,8-13H2,1-3H3,(H,19,20)
InChIKeyBMHYXTGZSBZTMX-UHFFFAOYSA-N
XLogP1.00
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide
CID 110961891
2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 111148671
tert-butyl N-[2-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]carbamate
CID 111149232
N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 111148849
2-[[[4-(2-fluorophenyl)piperazin-1-yl]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119139865
2-[[[4-(2-fluorophenyl)piperazin-1-yl]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110053311
N-[2-(benzenesulfonyl)ethyl]-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111149105
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
4-(2-fluorophenyl)-N'-methyl-N-(2-prop-2-enylsulfanylethyl)piperazine-1-carboximidamide
CID 111148893
4-[[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzamide
CID 111148783
N-(4-fluorophenyl)-2-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]acetamide
CID 111148741
N,N-diethyl-3-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]propanamide
CID 111148661

Frequently Asked Questions

What is the IUPAC name of 3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide (CID 111148259) is 3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide is C/N=C(\NCCC(=O)N(C)C)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide?
The InChIKey is BMHYXTGZSBZTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN5O/c1-19-17(20-9-8-16(24)21(2)3)23-12-10-22(11-13-23)15-7-5-4-6-14(15)18/h4-7H,8-13H2,1-3H3,(H,19,20).
What are the key properties of 3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide?
3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide has a molecular weight of 335.43 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 111148259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).