1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione

C16H18ClN3O3 — CID 139306179

IUPAC1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
SMILESO=C(CCl)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1
InChIInChI=1S/C16H18ClN3O3/c17-10-14(21)18-8-6-12(7-9-18)19-11-15(22)20(16(19)23)13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKeyVCGTTWVSLMHROE-UHFFFAOYSA-N
MW335.79 g/mol
LogP1.68
Rot. Bonds3

About 1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione

1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione (PubChem CID 139306179) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
PubChem CID139306179
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
SMILESO=C(CCl)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1
InChIInChI=1S/C16H18ClN3O3/c17-10-14(21)18-8-6-12(7-9-18)19-11-15(22)20(16(19)23)13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKeyVCGTTWVSLMHROE-UHFFFAOYSA-N
XLogP1.68
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloroacetyl chloride;1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;3-phenyl-1-piperidin-4-ylimidazolidine-2,4-dione
CID 167616386
1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 91819445
1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 91819499
1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 91819450
1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 91819504
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 163356602
dipotassium;1-[1-[2-(4-ethynylphenoxy)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;hydride;methanol;oxido formate;3-phenyl-1-[1-[2-[4-(2-trimethylsilylethynyl)phenoxy]acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 167566625
2-chloro-1-(7-phenyl-1,4-thiazepan-4-yl)ethanone
CID 90629357
2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone
CID 164769489
3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 131702762
1-[4-[benzyl(methyl)amino]piperidin-1-yl]-2-chloroethanone
CID 66567050
3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione
CID 80578980

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione (CID 139306179) is 1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione is O=C(CCl)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1.
What is the InChIKey of 1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The InChIKey is VCGTTWVSLMHROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c17-10-14(21)18-8-6-12(7-9-18)19-11-15(22)20(16(19)23)13-4-2-1-3-5-13/h1-5,12H,6-11H2.
What are the key properties of 1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione has a molecular weight of 335.79 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 139306179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).