ethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane

C19H30FN3O2 — CID 145287461

IUPACethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane
SMILESCC.CCC.O=CN1CCN(C(=O)N/C=C/c2ccc(F)cc2)CC1
InChIInChI=1S/C14H16FN3O2.C3H8.C2H6/c15-13-3-1-12(2-4-13)5-6-16-14(20)18-9-7-17(11-19)8-10-18;1-3-2;1-2/h1-6,11H,7-10H2,(H,16,20);3H2,1-2H3;1-2H3/b6-5+;;
InChIKeyUPKSXGAHBOAQHT-TXOOBNKBSA-N
MW351.47 g/mol
LogP3.72
Rot. Bonds3

About ethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane

ethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane (PubChem CID 145287461) has the molecular formula C19H30FN3O2 and a molecular weight of 351.47 g/mol. Its IUPAC name is ethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane.

Molecular Properties

Compound Nameethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane
PubChem CID145287461
Molecular FormulaC19H30FN3O2
Molecular Weight351.47 g/mol
Exact Mass351.23
IUPAC Nameethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane
SMILESCC.CCC.O=CN1CCN(C(=O)N/C=C/c2ccc(F)cc2)CC1
InChIInChI=1S/C14H16FN3O2.C3H8.C2H6/c15-13-3-1-12(2-4-13)5-6-16-14(20)18-9-7-17(11-19)8-10-18;1-3-2;1-2/h1-6,11H,7-10H2,(H,16,20);3H2,1-2H3;1-2H3/b6-5+;;
InChIKeyUPKSXGAHBOAQHT-TXOOBNKBSA-N
XLogP3.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide
CID 108908063
4-(2-fluorophenyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]piperazine-1-carboxamide
CID 108908210
4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
CID 108908348
N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108910602
4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
CID 108903368
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
4-[(2R)-2-(4-fluorophenoxy)butanoyl]piperazine-1-carbaldehyde
CID 93487859
4-formyl-N-[(E)-2-methylbut-1-enyl]piperazine-1-carboxamide
CID 108914425
N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108908901
4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide
CID 108907226
4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
CID 108903340
3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide
CID 108903218

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane?
The IUPAC name of ethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane (CID 145287461) is ethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane.
What is the SMILES notation for ethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane?
The canonical SMILES for ethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane is CC.CCC.O=CN1CCN(C(=O)N/C=C/c2ccc(F)cc2)CC1.
What is the InChIKey of ethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane?
The InChIKey is UPKSXGAHBOAQHT-TXOOBNKBSA-N. The full InChI is InChI=1S/C14H16FN3O2.C3H8.C2H6/c15-13-3-1-12(2-4-13)5-6-16-14(20)18-9-7-17(11-19)8-10-18;1-3-2;1-2/h1-6,11H,7-10H2,(H,16,20);3H2,1-2H3;1-2H3/b6-5+;;.
What are the key properties of ethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane?
ethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane has a molecular weight of 351.47 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane is sourced from PubChem (CID 145287461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).