4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide

C20H24N3O2+ — CID 2301934

IUPAC4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-6-8-16(9-7-15)19(24)21-18-5-3-4-17(14-18)20(25)23-12-10-22(2)11-13-23/h3-9,14H,10-13H2,1-2H3,(H,21,24)/p+1
InChIKeyLAPDLARAEKBKTO-UHFFFAOYSA-O
MW338.43 g/mol
LogP1.22
Rot. Bonds3

About 4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide

4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide (PubChem CID 2301934) has the molecular formula C20H24N3O2+ and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
PubChem CID2301934
Molecular FormulaC20H24N3O2+
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC Name4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-6-8-16(9-7-15)19(24)21-18-5-3-4-17(14-18)20(25)23-12-10-22(2)11-13-23/h3-9,14H,10-13H2,1-2H3,(H,21,24)/p+1
InChIKeyLAPDLARAEKBKTO-UHFFFAOYSA-O
XLogP1.22
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide
CID 46387263
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6931777
methyl 3-[[4-(azepane-1-carbonyl)benzoyl]amino]benzoate
CID 109049175
N-(3-acetylphenyl)-4-(4-formylpiperazine-1-carbonyl)benzamide
CID 109046418
methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid
CID 173192241
N-[3-(azepane-1-carbonyl)phenyl]-4-nitrobenzamide
CID 26159233
methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate
CID 3585170

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide (CID 2301934) is 4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide?
The InChIKey is LAPDLARAEKBKTO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23N3O2/c1-15-6-8-16(9-7-15)19(24)21-18-5-3-4-17(14-18)20(25)23-12-10-22(2)11-13-23/h3-9,14H,10-13H2,1-2H3,(H,21,24)/p+1.
What are the key properties of 4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide?
4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide has a molecular weight of 338.43 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 2301934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).