5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione

C24H24ClN3O4 — CID 45196872

IUPAC5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione
SMILESCC(=O)c1ccc(C(=O)N2CCC(C3(Cc4ccccc4Cl)NC(=O)NC3=O)CC2)cc1
InChIInChI=1S/C24H24ClN3O4/c1-15(29)16-6-8-17(9-7-16)21(30)28-12-10-19(11-13-28)24(22(31)26-23(32)27-24)14-18-4-2-3-5-20(18)25/h2-9,19H,10-14H2,1H3,(H2,26,27,31,32)
InChIKeyQBKZKEGKHPOPBD-UHFFFAOYSA-N
MW453.93 g/mol
LogP3.22
Rot. Bonds5

About 5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione

5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 45196872) has the molecular formula C24H24ClN3O4 and a molecular weight of 453.93 g/mol. Its IUPAC name is 5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID45196872
Molecular FormulaC24H24ClN3O4
Molecular Weight453.93 g/mol
Exact Mass453.15
IUPAC Name5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione
SMILESCC(=O)c1ccc(C(=O)N2CCC(C3(Cc4ccccc4Cl)NC(=O)NC3=O)CC2)cc1
InChIInChI=1S/C24H24ClN3O4/c1-15(29)16-6-8-17(9-7-16)21(30)28-12-10-19(11-13-28)24(22(31)26-23(32)27-24)14-18-4-2-3-5-20(18)25/h2-9,19H,10-14H2,1H3,(H2,26,27,31,32)
InChIKeyQBKZKEGKHPOPBD-UHFFFAOYSA-N
XLogP3.22
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 53.22
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

(5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 42369335
5-[(2-chlorophenyl)methyl]-5-[1-(2-cyclopropylacetyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 56854186
5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 45184206
(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42322122
5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 56721489
(5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42163156
(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26277872
5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45231104
3-[(2-chlorophenyl)methyl]-8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83277512
5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45212407
(5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 42468381
5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45206652

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione (CID 45196872) is 5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione is CC(=O)c1ccc(C(=O)N2CCC(C3(Cc4ccccc4Cl)NC(=O)NC3=O)CC2)cc1.
What is the InChIKey of 5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is QBKZKEGKHPOPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4/c1-15(29)16-6-8-17(9-7-16)21(30)28-12-10-19(11-13-28)24(22(31)26-23(32)27-24)14-18-4-2-3-5-20(18)25/h2-9,19H,10-14H2,1H3,(H2,26,27,31,32).
What are the key properties of 5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione?
5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 453.93 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45196872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).