2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide

C23H29N3O3 — CID 55709108

IUPAC2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
SMILESCOc1cc(CC(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)ccc1C
InChIInChI=1S/C23H29N3O3/c1-17-4-5-19(14-21(17)29-3)15-22(27)24-16-18-6-8-20(9-7-18)23(28)26-12-10-25(2)11-13-26/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,27)
InChIKeyPHQWWUVIYSWIRE-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.25
Rot. Bonds6

About 2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide

2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 55709108) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID55709108
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
SMILESCOc1cc(CC(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)ccc1C
InChIInChI=1S/C23H29N3O3/c1-17-4-5-19(14-21(17)29-3)15-22(27)24-16-18-6-8-20(9-7-18)23(28)26-12-10-25(2)11-13-26/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,27)
InChIKeyPHQWWUVIYSWIRE-UHFFFAOYSA-N
XLogP2.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 60512190
4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
CID 55928870
N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55725492
2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 55708866
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide
CID 47036071
N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046103
N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 60570389
5-bromo-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]furan-2-carboxamide
CID 55708979
3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 43043546
1-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119736818
N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide (CID 55709108) is 2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide is COc1cc(CC(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)ccc1C.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is PHQWWUVIYSWIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-4-5-19(14-21(17)29-3)15-22(27)24-16-18-6-8-20(9-7-18)23(28)26-12-10-25(2)11-13-26/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,27).
What are the key properties of 2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide?
2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55709108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).