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

C17H22ClFN4O3 — CID 119429101

IUPAC2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-piperidin-3-ylacetamide;hydrochloride
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCCNC2)C1=O.Cl
InChIInChI=1S/C17H21FN4O3.ClH/c1-17(11-4-6-12(18)7-5-11)15(24)22(16(25)21-17)10-14(23)20-13-3-2-8-19-9-13;/h4-7,13,19H,2-3,8-10H2,1H3,(H,20,23)(H,21,25);1H
InChIKeyZPTNPPQUWRKRJV-UHFFFAOYSA-N
MW384.84 g/mol
LogP0.88
Rot. Bonds4

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

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-piperidin-3-ylacetamide;hydrochloride (PubChem CID 119429101) has the molecular formula C17H22ClFN4O3 and a molecular weight of 384.84 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-piperidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-piperidin-3-ylacetamide;hydrochloride
PubChem CID119429101
Molecular FormulaC17H22ClFN4O3
Molecular Weight384.84 g/mol
Exact Mass384.14
IUPAC Name2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-piperidin-3-ylacetamide;hydrochloride
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCCNC2)C1=O.Cl
InChIInChI=1S/C17H21FN4O3.ClH/c1-17(11-4-6-12(18)7-5-11)15(24)22(16(25)21-17)10-14(23)20-13-3-2-8-19-9-13;/h4-7,13,19H,2-3,8-10H2,1H3,(H,20,23)(H,21,25);1H
InChIKeyZPTNPPQUWRKRJV-UHFFFAOYSA-N
XLogP0.88
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 50.88
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

N-cyclooctyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250040
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119559360
N-cyclopentyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582043
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride
CID 119424782
N-cyclopentyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580741
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 2705918
N-cyclohexyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580985
2-[(4R)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 29156541
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553932
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 51139022
N-cyclopentyl-2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2584997
N-(cyclopropylmethyl)-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 33458916

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-piperidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-piperidin-3-ylacetamide;hydrochloride (CID 119429101) is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-piperidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-piperidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-piperidin-3-ylacetamide;hydrochloride is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCCNC2)C1=O.Cl.
What is the InChIKey of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-piperidin-3-ylacetamide;hydrochloride?
The InChIKey is ZPTNPPQUWRKRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3.ClH/c1-17(11-4-6-12(18)7-5-11)15(24)22(16(25)21-17)10-14(23)20-13-3-2-8-19-9-13;/h4-7,13,19H,2-3,8-10H2,1H3,(H,20,23)(H,21,25);1H.
What are the key properties of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-piperidin-3-ylacetamide;hydrochloride?
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-piperidin-3-ylacetamide;hydrochloride has a molecular weight of 384.84 g/mol, XLogP of 0.88, 4 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-piperidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119429101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).