N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide

C22H29N3O2 — CID 109033747

IUPACN-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN(CCC(=O)Nc3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-17-4-5-18(2)21(16-17)23-22(26)10-11-24-12-14-25(15-13-24)19-6-8-20(27-3)9-7-19/h4-9,16H,10-15H2,1-3H3,(H,23,26)
InChIKeyYTUSLQQLHAAKKC-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.46
Rot. Bonds6

About N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide

N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 109033747) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID109033747
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN(CCC(=O)Nc3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-17-4-5-18(2)21(16-17)23-22(26)10-11-24-12-14-25(15-13-24)19-6-8-20(27-3)9-7-19/h4-9,16H,10-15H2,1-3H3,(H,23,26)
InChIKeyYTUSLQQLHAAKKC-UHFFFAOYSA-N
XLogP3.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033774
N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033777
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109027353
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027327
ethyl 4-[3-(2,5-dimethylanilino)-3-oxopropyl]piperazine-1-carboxylate;oxalic acid
CID 171154401
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,5-dimethylbenzamide
CID 42224706
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 42268559
N-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033786
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029405
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154390
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (CID 109033747) is N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccc(N2CCN(CCC(=O)Nc3cc(C)ccc3C)CC2)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is YTUSLQQLHAAKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17-4-5-18(2)21(16-17)23-22(26)10-11-24-12-14-25(15-13-24)19-6-8-20(27-3)9-7-19/h4-9,16H,10-15H2,1-3H3,(H,23,26).
What are the key properties of N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 367.49 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109033747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).