N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide

C15H20FN3O — CID 108910602

IUPACN-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCC/C=C/NC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O/c1-2-3-8-17-15(20)19-11-9-18(10-12-19)14-6-4-13(16)5-7-14/h3-8H,2,9-12H2,1H3,(H,17,20)/b8-3+
InChIKeySGIQUSKVFFAQPP-FPYGCLRLSA-N
MW277.34 g/mol
LogP2.58
Rot. Bonds3

About N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide

N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 108910602) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID108910602
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCC/C=C/NC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O/c1-2-3-8-17-15(20)19-11-9-18(10-12-19)14-6-4-13(16)5-7-14/h3-8H,2,9-12H2,1H3,(H,17,20)/b8-3+
InChIKeySGIQUSKVFFAQPP-FPYGCLRLSA-N
XLogP2.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108914650
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
CID 108895046
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide
CID 108894345
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
methyl (2S,3R)-2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylpentanoate
CID 2012778
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107679
ethyl 4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112811

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (CID 108910602) is N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is CC/C=C/NC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is SGIQUSKVFFAQPP-FPYGCLRLSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-2-3-8-17-15(20)19-11-9-18(10-12-19)14-6-4-13(16)5-7-14/h3-8H,2,9-12H2,1H3,(H,17,20)/b8-3+.
What are the key properties of N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 277.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108910602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).