N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide

C25H28N3O2+ — CID 7085446

IUPACN-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide
SMILESC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C25H27N3O2/c1-27-15-17-28(18-16-27)24-10-6-5-9-23(24)26-25(29)21-11-13-22(14-12-21)30-19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,26,29)/p+1
InChIKeyFBGNFOLOPSHLEV-UHFFFAOYSA-O
MW402.52 g/mol
LogP2.85
Rot. Bonds6

About N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide

N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide (PubChem CID 7085446) has the molecular formula C25H28N3O2+ and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide
PubChem CID7085446
Molecular FormulaC25H28N3O2+
Molecular Weight402.52 g/mol
Exact Mass402.22
IUPAC NameN-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide
SMILESC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C25H27N3O2/c1-27-15-17-28(18-16-27)24-10-6-5-9-23(24)26-25(29)21-11-13-22(14-12-21)30-19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,26,29)/p+1
InChIKeyFBGNFOLOPSHLEV-UHFFFAOYSA-O
XLogP2.85
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenylmethoxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2066084
3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 7473635
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131
3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 46526102
N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylmethoxybenzamide
CID 7085466
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide
CID 17388059
N-[2-(butanoylamino)phenyl]-4-phenylmethoxybenzamide
CID 2996611
N-[(2-morpholin-4-ylphenyl)carbamothioyl]-4-(phenoxymethyl)benzamide
CID 1312311
4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 22775492
N-methyl-4-phenylmethoxybenzamide
CID 2996745
methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate
CID 56576232
4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 3584037

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide (CID 7085446) is N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide is C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide?
The InChIKey is FBGNFOLOPSHLEV-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H27N3O2/c1-27-15-17-28(18-16-27)24-10-6-5-9-23(24)26-25(29)21-11-13-22(14-12-21)30-19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,26,29)/p+1.
What are the key properties of N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide?
N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide has a molecular weight of 402.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 7085446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).