N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

C20H29N5O — CID 120870455

IUPACN-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCCc1ccc(CN(C)C(=O)CN2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C20H29N5O/c1-4-16-5-7-17(8-6-16)14-24(3)19(26)15-25-12-9-21-13-18(25)20-22-10-11-23(20)2/h5-8,10-11,18,21H,4,9,12-15H2,1-3H3
InChIKeyUVQDNXGWINONGK-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.59
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 120870455) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
PubChem CID120870455
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCCc1ccc(CN(C)C(=O)CN2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C20H29N5O/c1-4-16-5-7-17(8-6-16)14-24(3)19(26)15-25-12-9-21-13-18(25)20-22-10-11-23(20)2/h5-8,10-11,18,21H,4,9,12-15H2,1-3H3
InChIKeyUVQDNXGWINONGK-UHFFFAOYSA-N
XLogP1.59
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870243
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871375
N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870995
N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755259
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870032
N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide
CID 120880286
N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 120871075
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
CID 120870905
1-(4-ethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895239
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120911721

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (CID 120870455) is N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is CCc1ccc(CN(C)C(=O)CN2CCNCC2c2nccn2C)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is UVQDNXGWINONGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-16-5-7-17(8-6-16)14-24(3)19(26)15-25-12-9-21-13-18(25)20-22-10-11-23(20)2/h5-8,10-11,18,21H,4,9,12-15H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 355.49 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 120870455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).