5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

C19H23Cl2N3O4 — CID 139529999

IUPAC5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc(C2CCN(C(=O)CCC3(C)NC(=O)NC3=O)CC2)cc(Cl)c1Cl
InChIInChI=1S/C19H23Cl2N3O4/c1-19(17(26)22-18(27)23-19)6-3-15(25)24-7-4-11(5-8-24)12-9-13(20)16(21)14(10-12)28-2/h9-11H,3-8H2,1-2H3,(H2,22,23,26,27)
InChIKeyCDVQKDXLTNVCDJ-UHFFFAOYSA-N
MW428.32 g/mol
LogP3.09
Rot. Bonds5

About 5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 139529999) has the molecular formula C19H23Cl2N3O4 and a molecular weight of 428.32 g/mol. Its IUPAC name is 5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID139529999
Molecular FormulaC19H23Cl2N3O4
Molecular Weight428.32 g/mol
Exact Mass427.11
IUPAC Name5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc(C2CCN(C(=O)CCC3(C)NC(=O)NC3=O)CC2)cc(Cl)c1Cl
InChIInChI=1S/C19H23Cl2N3O4/c1-19(17(26)22-18(27)23-19)6-3-15(25)24-7-4-11(5-8-24)12-9-13(20)16(21)14(10-12)28-2/h9-11H,3-8H2,1-2H3,(H2,22,23,26,27)
InChIKeyCDVQKDXLTNVCDJ-UHFFFAOYSA-N
XLogP3.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-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

4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one
CID 146652433
5-methyl-5-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen
CID 145414351
3-[3-[4-(3-chloro-4-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-3-methylpyrrolidine-2,5-dione
CID 153204130
5-[3-[4-(4-fluoro-3,5-dimethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 155773708
5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121448965
(5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121449011
(5S)-5-[3-[4-(4-chloro-3-ethyl-5-methoxyphenyl)piperidin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione
CID 139530005
(5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 51592543
1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 146652443
(3S)-3-[3-[4-(3,5-dichloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-3-methylpyrrolidine-2,5-dione
CID 159101733
5-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121438005
(5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 139581796

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 139529999) is 5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is COc1cc(C2CCN(C(=O)CCC3(C)NC(=O)NC3=O)CC2)cc(Cl)c1Cl.
What is the InChIKey of 5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is CDVQKDXLTNVCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O4/c1-19(17(26)22-18(27)23-19)6-3-15(25)24-7-4-11(5-8-24)12-9-13(20)16(21)14(10-12)28-2/h9-11H,3-8H2,1-2H3,(H2,22,23,26,27).
What are the key properties of 5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 428.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 139529999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).