4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide

C15H21FN4O — CID 108904315

IUPAC4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide
SMILESNCCN1CCN(C(=O)N/C=C/c2ccccc2F)CC1
InChIInChI=1S/C15H21FN4O/c16-14-4-2-1-3-13(14)5-7-18-15(21)20-11-9-19(8-6-17)10-12-20/h1-5,7H,6,8-12,17H2,(H,18,21)/b7-5+
InChIKeyNTKRSFQMEAGTBU-FNORWQNLSA-N
MW292.36 g/mol
LogP1.08
Rot. Bonds4

About 4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide

4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide (PubChem CID 108904315) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide
PubChem CID108904315
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide
SMILESNCCN1CCN(C(=O)N/C=C/c2ccccc2F)CC1
InChIInChI=1S/C15H21FN4O/c16-14-4-2-1-3-13(14)5-7-18-15(21)20-11-9-19(8-6-17)10-12-20/h1-5,7H,6,8-12,17H2,(H,18,21)/b7-5+
InChIKeyNTKRSFQMEAGTBU-FNORWQNLSA-N
XLogP1.08
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108904506
4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide
CID 108903982
4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
CID 108903368
4-(2-aminoethyl)-N-(2-sulfanylphenyl)piperazine-1-carboxamide
CID 108886367
4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108867667
4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252398
N-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108904452
(2E,4E)-1-[4-(3-chloropropyl)piperazin-1-yl]-5-(2-fluorophenyl)penta-2,4-dien-1-one
CID 23657966
1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904341
4-(2-fluorophenyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]piperazine-1-carboxamide
CID 108908210
N-[2-(azepan-1-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide
CID 123154586
(E)-3-(2-fluorophenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 9105628

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide (CID 108904315) is 4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide is NCCN1CCN(C(=O)N/C=C/c2ccccc2F)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide?
The InChIKey is NTKRSFQMEAGTBU-FNORWQNLSA-N. The full InChI is InChI=1S/C15H21FN4O/c16-14-4-2-1-3-13(14)5-7-18-15(21)20-11-9-19(8-6-17)10-12-20/h1-5,7H,6,8-12,17H2,(H,18,21)/b7-5+.
What are the key properties of 4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide?
4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide is sourced from PubChem (CID 108904315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).