3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride

C17H22ClFN4O3 — CID 119381699

IUPAC3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCC(N)C2)C1=O.Cl
InChIInChI=1S/C17H21FN4O3.ClH/c1-17(11-4-6-12(18)7-5-11)15(24)22(16(25)20-17)10-14(23)21-8-2-3-13(19)9-21;/h4-7,13H,2-3,8-10,19H2,1H3,(H,20,25);1H
InChIKeyPIFXEGZHYHBVBB-UHFFFAOYSA-N
MW384.84 g/mol
LogP0.96
Rot. Bonds3

About 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride

3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride (PubChem CID 119381699) has the molecular formula C17H22ClFN4O3 and a molecular weight of 384.84 g/mol. Its IUPAC name is 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride
PubChem CID119381699
Molecular FormulaC17H22ClFN4O3
Molecular Weight384.84 g/mol
Exact Mass384.14
IUPAC Name3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCC(N)C2)C1=O.Cl
InChIInChI=1S/C17H21FN4O3.ClH/c1-17(11-4-6-12(18)7-5-11)15(24)22(16(25)20-17)10-14(23)21-8-2-3-13(19)9-21;/h4-7,13H,2-3,8-10,19H2,1H3,(H,20,25);1H
InChIKeyPIFXEGZHYHBVBB-UHFFFAOYSA-N
XLogP0.96
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119381700
5-(4-fluorophenyl)-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119398834
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119376803
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
3-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride
CID 119639308
5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 119395359
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7178929
5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 17440464
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7264931
5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 55510543
(5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 52501154
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride (CID 119381699) is 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCC(N)C2)C1=O.Cl.
What is the InChIKey of 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride?
The InChIKey is PIFXEGZHYHBVBB-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)20-17)10-14(23)21-8-2-3-13(19)9-21;/h4-7,13H,2-3,8-10,19H2,1H3,(H,20,25);1H.
What are the key properties of 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride?
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride has a molecular weight of 384.84 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119381699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).