2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride

C19H25ClFN3O2 — CID 110284023

IUPAC2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride
SMILESC=CCN(CC=C)C(=O)CC1NCCN(Cc2ccccc2F)C1=O.Cl
InChIInChI=1S/C19H24FN3O2.ClH/c1-3-10-22(11-4-2)18(24)13-17-19(25)23(12-9-21-17)14-15-7-5-6-8-16(15)20;/h3-8,17,21H,1-2,9-14H2;1H
InChIKeyHMAAWUKPKPYWLD-UHFFFAOYSA-N
MW381.88 g/mol
LogP2.14
Rot. Bonds8

About 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride

2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride (PubChem CID 110284023) has the molecular formula C19H25ClFN3O2 and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride
PubChem CID110284023
Molecular FormulaC19H25ClFN3O2
Molecular Weight381.88 g/mol
Exact Mass381.16
IUPAC Name2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride
SMILESC=CCN(CC=C)C(=O)CC1NCCN(Cc2ccccc2F)C1=O.Cl
InChIInChI=1S/C19H24FN3O2.ClH/c1-3-10-22(11-4-2)18(24)13-17-19(25)23(12-9-21-17)14-15-7-5-6-8-16(15)20;/h3-8,17,21H,1-2,9-14H2;1H
InChIKeyHMAAWUKPKPYWLD-UHFFFAOYSA-N
XLogP2.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride (CID 110284023) is 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride is C=CCN(CC=C)C(=O)CC1NCCN(Cc2ccccc2F)C1=O.Cl.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride?
The InChIKey is HMAAWUKPKPYWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2.ClH/c1-3-10-22(11-4-2)18(24)13-17-19(25)23(12-9-21-17)14-15-7-5-6-8-16(15)20;/h3-8,17,21H,1-2,9-14H2;1H.
What are the key properties of 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride?
2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride has a molecular weight of 381.88 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride is sourced from PubChem (CID 110284023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).