N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide

C20H25ClN3O+ — CID 7892322

IUPACN-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide
SMILESC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O/c1-23-11-13-24(14-12-23)19-9-8-17(21)15-18(19)22-20(25)10-7-16-5-3-2-4-6-16/h2-6,8-9,15H,7,10-14H2,1H3,(H,22,25)/p+1
InChIKeyMESTXQIJSDHITL-UHFFFAOYSA-O
MW358.89 g/mol
LogP2.25
Rot. Bonds5

About N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide

N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide (PubChem CID 7892322) has the molecular formula C20H25ClN3O+ and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide
PubChem CID7892322
Molecular FormulaC20H25ClN3O+
Molecular Weight358.89 g/mol
Exact Mass358.17
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide
SMILESC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O/c1-23-11-13-24(14-12-23)19-9-8-17(21)15-18(19)22-20(25)10-7-16-5-3-2-4-6-16/h2-6,8-9,15H,7,10-14H2,1H3,(H,22,25)/p+1
InChIKeyMESTXQIJSDHITL-UHFFFAOYSA-O
XLogP2.25
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,3-dimethylbutanamide
CID 8933968
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide
CID 55757427
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
CID 7406867
N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 2990376
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide
CID 18196017
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 7551877
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 2670112
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]cyclobutanecarboxamide
CID 2680095
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55727828
3-(1,3-benzodioxol-5-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)propanamide
CID 16574876
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27828142
N-(5-chloro-2-piperidin-1-ylphenyl)-2-phenylmethoxyacetamide
CID 55360085

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide (CID 7892322) is N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide is C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide?
The InChIKey is MESTXQIJSDHITL-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24ClN3O/c1-23-11-13-24(14-12-23)19-9-8-17(21)15-18(19)22-20(25)10-7-16-5-3-2-4-6-16/h2-6,8-9,15H,7,10-14H2,1H3,(H,22,25)/p+1.
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide?
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide has a molecular weight of 358.89 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 7892322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).