N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide

C23H31N3O3 — CID 8725618

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(CN(C)C(=O)CN2CCN(c3ccccc3C)CC2)cc1OC
InChIInChI=1S/C23H31N3O3/c1-18-7-5-6-8-20(18)26-13-11-25(12-14-26)17-23(27)24(2)16-19-9-10-21(28-3)22(15-19)29-4/h5-10,15H,11-14,16-17H2,1-4H3
InChIKeyQQXOJWZQPLQFEC-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.79
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 8725618) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
PubChem CID8725618
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(CN(C)C(=O)CN2CCN(c3ccccc3C)CC2)cc1OC
InChIInChI=1S/C23H31N3O3/c1-18-7-5-6-8-20(18)26-13-11-25(12-14-26)17-23(27)24(2)16-19-9-10-21(28-3)22(15-19)29-4/h5-10,15H,11-14,16-17H2,1-4H3
InChIKeyQQXOJWZQPLQFEC-UHFFFAOYSA-N
XLogP2.79
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 36846103
N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
CID 8687143
N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
CID 8687133
2-(4-aminopiperidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119907892
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide
CID 8528777
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596284
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 32574099
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 38153261
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 18078469
methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate
CID 22200648
2-(4-benzylpiperazin-1-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 30863225
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide (CID 8725618) is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide is COc1ccc(CN(C)C(=O)CN2CCN(c3ccccc3C)CC2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is QQXOJWZQPLQFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-18-7-5-6-8-20(18)26-13-11-25(12-14-26)17-23(27)24(2)16-19-9-10-21(28-3)22(15-19)29-4/h5-10,15H,11-14,16-17H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8725618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).