N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide

C22H29N3O3 — CID 17376696

IUPACN-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCN(c3ccc(C)cc3)C(C)C2)c1
InChIInChI=1S/C22H29N3O3/c1-16-5-7-18(8-6-16)25-12-11-24(14-17(25)2)15-22(26)23-20-13-19(27-3)9-10-21(20)28-4/h5-10,13,17H,11-12,14-15H2,1-4H3,(H,23,26)
InChIKeyZNAOFLKRCKVTFW-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.16
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 17376696) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
PubChem CID17376696
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCN(c3ccc(C)cc3)C(C)C2)c1
InChIInChI=1S/C22H29N3O3/c1-16-5-7-18(8-6-16)25-12-11-24(14-17(25)2)15-22(26)23-20-13-19(27-3)9-10-21(20)28-4/h5-10,13,17H,11-12,14-15H2,1-4H3,(H,23,26)
InChIKeyZNAOFLKRCKVTFW-UHFFFAOYSA-N
XLogP3.16
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3R)-3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 98340125
N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2957595
(3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2211440
N-(2,4-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 23987261
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(2,5-dimethoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653031
methyl 3-[[2-[(3R)-4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate
CID 40937306
N-(2,5-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919183
N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36897882
methyl 6-methoxy-3-[[2-[(3S)-4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 40954922
methyl 6-methoxy-3-[[2-[(3R)-4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 51454451
N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 22199681

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide (CID 17376696) is N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)CN2CCN(c3ccc(C)cc3)C(C)C2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is ZNAOFLKRCKVTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16-5-7-18(8-6-16)25-12-11-24(14-17(25)2)15-22(26)23-20-13-19(27-3)9-10-21(20)28-4/h5-10,13,17H,11-12,14-15H2,1-4H3,(H,23,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 17376696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).