N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide

C21H27N3O — CID 3592343

IUPACN-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-16-5-4-6-21(17(16)2)24-13-11-23(12-14-24)15-19-7-9-20(10-8-19)22-18(3)25/h4-10H,11-15H2,1-3H3,(H,22,25)
InChIKeyZNQBNJUZUBQFRH-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.58
Rot. Bonds4

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

N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide (PubChem CID 3592343) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide
PubChem CID3592343
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-16-5-4-6-21(17(16)2)24-13-11-23(12-14-24)15-19-7-9-20(10-8-19)22-18(3)25/h4-10H,11-15H2,1-3H3,(H,22,25)
InChIKeyZNQBNJUZUBQFRH-UHFFFAOYSA-N
XLogP3.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42858990
N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 23826694
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol;oxalic acid
CID 163327630
1-(2,3-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazine;oxalic acid
CID 163327680
1-(2,3-dimethylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 1377205
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline
CID 2845785
1-(2,3-dimethylphenyl)-4-[(4-nitrophenyl)methyl]piperazine
CID 791416
1-(2,3-dimethylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 163328217
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone
CID 3300598
4-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 8582749
2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8582755
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide (CID 3592343) is N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1.
What is the InChIKey of N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide?
The InChIKey is ZNQBNJUZUBQFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-5-4-6-21(17(16)2)24-13-11-23(12-14-24)15-19-7-9-20(10-8-19)22-18(3)25/h4-10H,11-15H2,1-3H3,(H,22,25).
What are the key properties of N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 3592343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).