3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride

C21H25ClFN3O2 — CID 120735890

IUPAC3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1cccc(C(=O)N2CCNCC2c2cccc(F)c2)c1.Cl
InChIInChI=1S/C21H24FN3O2.ClH/c1-2-9-24-20(26)16-6-3-7-17(12-16)21(27)25-11-10-23-14-19(25)15-5-4-8-18(22)13-15;/h3-8,12-13,19,23H,2,9-11,14H2,1H3,(H,24,26);1H
InChIKeyNZDQDUUWYBABSX-UHFFFAOYSA-N
MW405.90 g/mol
LogP3.17
Rot. Bonds5

About 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride

3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride (PubChem CID 120735890) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
PubChem CID120735890
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC Name3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1cccc(C(=O)N2CCNCC2c2cccc(F)c2)c1.Cl
InChIInChI=1S/C21H24FN3O2.ClH/c1-2-9-24-20(26)16-6-3-7-17(12-16)21(27)25-11-10-23-14-19(25)15-5-4-8-18(22)13-15;/h3-8,12-13,19,23H,2,9-11,14H2,1H3,(H,24,26);1H
InChIKeyNZDQDUUWYBABSX-UHFFFAOYSA-N
XLogP3.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride
CID 118741941
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
CID 120737949
N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
CID 120736985
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide
CID 120737378
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120736229
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 120737596
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride?
The IUPAC name of 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride (CID 120735890) is 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride?
The canonical SMILES for 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride is CCCNC(=O)c1cccc(C(=O)N2CCNCC2c2cccc(F)c2)c1.Cl.
What is the InChIKey of 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride?
The InChIKey is NZDQDUUWYBABSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2.ClH/c1-2-9-24-20(26)16-6-3-7-17(12-16)21(27)25-11-10-23-14-19(25)15-5-4-8-18(22)13-15;/h3-8,12-13,19,23H,2,9-11,14H2,1H3,(H,24,26);1H.
What are the key properties of 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride?
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride has a molecular weight of 405.90 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 120735890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).