N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride

C22H27ClFN3O2 — CID 120736229

IUPACN,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl
InChIInChI=1S/C22H26FN3O2.ClH/c1-3-25(4-2)21(27)16-8-10-17(11-9-16)22(28)26-13-12-24-15-20(26)18-6-5-7-19(23)14-18;/h5-11,14,20,24H,3-4,12-13,15H2,1-2H3;1H
InChIKeyWLALSUGWTQUPRL-UHFFFAOYSA-N
MW419.93 g/mol
LogP3.52
Rot. Bonds5

About N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride

N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride (PubChem CID 120736229) has the molecular formula C22H27ClFN3O2 and a molecular weight of 419.93 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
PubChem CID120736229
Molecular FormulaC22H27ClFN3O2
Molecular Weight419.93 g/mol
Exact Mass419.18
IUPAC NameN,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl
InChIInChI=1S/C22H26FN3O2.ClH/c1-3-25(4-2)21(27)16-8-10-17(11-9-16)22(28)26-13-12-24-15-20(26)18-6-5-7-19(23)14-18;/h5-11,14,20,24H,3-4,12-13,15H2,1-2H3;1H
InChIKeyWLALSUGWTQUPRL-UHFFFAOYSA-N
XLogP3.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
[2-(3-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120736705
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
CID 120737949
[4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737828
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 120735890
N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 120737744
(3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736289
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 120736657

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride?
The IUPAC name of N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride (CID 120736229) is N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride?
The canonical SMILES for N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride is CCN(CC)C(=O)c1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl.
What is the InChIKey of N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride?
The InChIKey is WLALSUGWTQUPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2.ClH/c1-3-25(4-2)21(27)16-8-10-17(11-9-16)22(28)26-13-12-24-15-20(26)18-6-5-7-19(23)14-18;/h5-11,14,20,24H,3-4,12-13,15H2,1-2H3;1H.
What are the key properties of N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride?
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride has a molecular weight of 419.93 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride is sourced from PubChem (CID 120736229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).