2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride

C19H26ClFN4O3 — CID 119559360

IUPAC2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCC2CCCNC2)C1=O.Cl
InChIInChI=1S/C19H25FN4O3.ClH/c1-19(14-4-6-15(20)7-5-14)17(26)24(18(27)23-19)12-16(25)22-10-8-13-3-2-9-21-11-13;/h4-7,13,21H,2-3,8-12H2,1H3,(H,22,25)(H,23,27);1H
InChIKeyWURJJPKXQLOVAM-UHFFFAOYSA-N
MW412.89 g/mol
LogP1.52
Rot. Bonds6

About 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride (PubChem CID 119559360) has the molecular formula C19H26ClFN4O3 and a molecular weight of 412.89 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
PubChem CID119559360
Molecular FormulaC19H26ClFN4O3
Molecular Weight412.89 g/mol
Exact Mass412.17
IUPAC Name2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCC2CCCNC2)C1=O.Cl
InChIInChI=1S/C19H25FN4O3.ClH/c1-19(14-4-6-15(20)7-5-14)17(26)24(18(27)23-19)12-16(25)22-10-8-13-3-2-9-21-11-13;/h4-7,13,21H,2-3,8-12H2,1H3,(H,22,25)(H,23,27);1H
InChIKeyWURJJPKXQLOVAM-UHFFFAOYSA-N
XLogP1.52
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.89
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-piperidin-3-ylacetamide;hydrochloride
CID 119429101
N-(cyclopropylmethyl)-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 33458916
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394449
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557573
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
N-cyclooctyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250040
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119559612
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
N-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
CID 119549660
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534048
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43044795
N-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119536748

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride (CID 119559360) is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCC2CCCNC2)C1=O.Cl.
What is the InChIKey of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The InChIKey is WURJJPKXQLOVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3.ClH/c1-19(14-4-6-15(20)7-5-14)17(26)24(18(27)23-19)12-16(25)22-10-8-13-3-2-9-21-11-13;/h4-7,13,21H,2-3,8-12H2,1H3,(H,22,25)(H,23,27);1H.
What are the key properties of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride has a molecular weight of 412.89 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119559360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).