N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride

C20H29ClFN5O — CID 120870482

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
SMILESCC(C)C(NC(=O)CN1CCNCC1c1nccn1C)c1ccc(F)cc1.Cl
InChIInChI=1S/C20H28FN5O.ClH/c1-14(2)19(15-4-6-16(21)7-5-15)24-18(27)13-26-11-8-22-12-17(26)20-23-9-10-25(20)3;/h4-7,9-10,14,17,19,22H,8,11-13H2,1-3H3,(H,24,27);1H
InChIKeyUPKADNYXTZWIGB-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.44
Rot. Bonds6

About N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride

N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120870482) has the molecular formula C20H29ClFN5O and a molecular weight of 409.94 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120870482
Molecular FormulaC20H29ClFN5O
Molecular Weight409.94 g/mol
Exact Mass409.20
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
SMILESCC(C)C(NC(=O)CN1CCNCC1c1nccn1C)c1ccc(F)cc1.Cl
InChIInChI=1S/C20H28FN5O.ClH/c1-14(2)19(15-4-6-16(21)7-5-15)24-18(27)13-26-11-8-22-12-17(26)20-23-9-10-25(20)3;/h4-7,9-10,14,17,19,22H,8,11-13H2,1-3H3,(H,24,27);1H
InChIKeyUPKADNYXTZWIGB-UHFFFAOYSA-N
XLogP2.44
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 120870751
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 120869985
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755925
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
N-cyclopentyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871110
N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871149
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870391
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
CID 120870905
N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871328
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871390

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride (CID 120870482) is N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride is CC(C)C(NC(=O)CN1CCNCC1c1nccn1C)c1ccc(F)cc1.Cl.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is UPKADNYXTZWIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5O.ClH/c1-14(2)19(15-4-6-16(21)7-5-15)24-18(27)13-26-11-8-22-12-17(26)20-23-9-10-25(20)3;/h4-7,9-10,14,17,19,22H,8,11-13H2,1-3H3,(H,24,27);1H.
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120870482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).