3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide

C20H26N3O3+ — CID 9204883

IUPAC3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NN2CC[NH+](C)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C20H25N3O3/c1-22-10-12-23(13-11-22)21-20(24)17-8-9-18(19(14-17)25-2)26-15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)/p+1
InChIKeyGALILPZCDKYGDZ-UHFFFAOYSA-O
MW356.45 g/mol
LogP0.75
Rot. Bonds6

About 3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide

3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide (PubChem CID 9204883) has the molecular formula C20H26N3O3+ and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide
PubChem CID9204883
Molecular FormulaC20H26N3O3+
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NN2CC[NH+](C)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C20H25N3O3/c1-22-10-12-23(13-11-22)21-20(24)17-8-9-18(19(14-17)25-2)26-15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)/p+1
InChIKeyGALILPZCDKYGDZ-UHFFFAOYSA-O
XLogP0.75
TPSA55.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 25443222
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
N'-(4-ethoxybenzoyl)-3-methoxy-4-phenylmethoxybenzohydrazide
CID 9492724
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
(2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid
CID 2577208
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 25486073

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide?
The IUPAC name of 3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide (CID 9204883) is 3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide?
The canonical SMILES for 3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide is COc1cc(C(=O)NN2CC[NH+](C)CC2)ccc1OCc1ccccc1.
What is the InChIKey of 3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide?
The InChIKey is GALILPZCDKYGDZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O3/c1-22-10-12-23(13-11-22)21-20(24)17-8-9-18(19(14-17)25-2)26-15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)/p+1.
What are the key properties of 3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide?
3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide has a molecular weight of 356.45 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 9204883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).