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

C20H23ClFN3O2 — CID 120736985

IUPACN-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1cccc(C(=O)N2CCNCC2c2cccc(F)c2)c1.Cl
InChIInChI=1S/C20H22FN3O2.ClH/c1-2-19(25)23-17-8-4-6-15(12-17)20(26)24-10-9-22-13-18(24)14-5-3-7-16(21)11-14;/h3-8,11-12,18,22H,2,9-10,13H2,1H3,(H,23,25);1H
InChIKeyDCFCGSVXBRRDAP-UHFFFAOYSA-N
MW391.87 g/mol
LogP3.38
Rot. Bonds4

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

N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride (PubChem CID 120736985) has the molecular formula C20H23ClFN3O2 and a molecular weight of 391.87 g/mol. Its IUPAC name is N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
PubChem CID120736985
Molecular FormulaC20H23ClFN3O2
Molecular Weight391.87 g/mol
Exact Mass391.15
IUPAC NameN-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1cccc(C(=O)N2CCNCC2c2cccc(F)c2)c1.Cl
InChIInChI=1S/C20H22FN3O2.ClH/c1-2-19(25)23-17-8-4-6-15(12-17)20(26)24-10-9-22-13-18(24)14-5-3-7-16(21)11-14;/h3-8,11-12,18,22H,2,9-10,13H2,1H3,(H,23,25);1H
InChIKeyDCFCGSVXBRRDAP-UHFFFAOYSA-N
XLogP3.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 120731082
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 120735890
3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride
CID 118741941
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
CID 120737949
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120736229
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 120756225
[2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
CID 120736025

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride?
The IUPAC name of N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride (CID 120736985) is N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride?
The canonical SMILES for N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride is CCC(=O)Nc1cccc(C(=O)N2CCNCC2c2cccc(F)c2)c1.Cl.
What is the InChIKey of N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride?
The InChIKey is DCFCGSVXBRRDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2.ClH/c1-2-19(25)23-17-8-4-6-15(12-17)20(26)24-10-9-22-13-18(24)14-5-3-7-16(21)11-14;/h3-8,11-12,18,22H,2,9-10,13H2,1H3,(H,23,25);1H.
What are the key properties of N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride?
N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride has a molecular weight of 391.87 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120736985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).