N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide

C22H34N6O — CID 135112122

IUPACN-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)N(CCN(C)C)Cc3cnc(C)[nH]3)CC2)c1
InChIInChI=1S/C22H34N6O/c1-18-6-5-7-21(14-18)27-12-9-26(10-13-27)17-22(29)28(11-8-25(3)4)16-20-15-23-19(2)24-20/h5-7,14-15H,8-13,16-17H2,1-4H3,(H,23,24)
InChIKeyOPXDUSYMKVEHJU-UHFFFAOYSA-N
MW398.56 g/mol
LogP1.74
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide

N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 135112122) has the molecular formula C22H34N6O and a molecular weight of 398.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
PubChem CID135112122
Molecular FormulaC22H34N6O
Molecular Weight398.56 g/mol
Exact Mass398.28
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)N(CCN(C)C)Cc3cnc(C)[nH]3)CC2)c1
InChIInChI=1S/C22H34N6O/c1-18-6-5-7-21(14-18)27-12-9-26(10-13-27)17-22(29)28(11-8-25(3)4)16-20-15-23-19(2)24-20/h5-7,14-15H,8-13,16-17H2,1-4H3,(H,23,24)
InChIKeyOPXDUSYMKVEHJU-UHFFFAOYSA-N
XLogP1.74
TPSA58.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 60504796
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 36853094
N-cyclopentyl-N-cyclopropyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 60504984
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 36853144
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 131897568
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 133268126
1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51363163
N',N'-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]ethane-1,2-diamine
CID 62573769
1-[2-(dimethylamino)ethyl]-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113182849
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24700218
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide
CID 108950423

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide (CID 135112122) is N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide is Cc1cccc(N2CCN(CC(=O)N(CCN(C)C)Cc3cnc(C)[nH]3)CC2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is OPXDUSYMKVEHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O/c1-18-6-5-7-21(14-18)27-12-9-26(10-13-27)17-22(29)28(11-8-25(3)4)16-20-15-23-19(2)24-20/h5-7,14-15H,8-13,16-17H2,1-4H3,(H,23,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide has a molecular weight of 398.56 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 135112122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).