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

C18H22ClN3O4 — CID 139529972

IUPAC5-[3-[4-(4-chloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCOc1cc(Cl)ccc1C1CCN(C(=O)CCC2NC(=O)NC2=O)CC1
InChIInChI=1S/C18H22ClN3O4/c1-26-15-10-12(19)2-3-13(15)11-6-8-22(9-7-11)16(23)5-4-14-17(24)21-18(25)20-14/h2-3,10-11,14H,4-9H2,1H3,(H2,20,21,24,25)
InChIKeyCEERBOLRKVDRQK-UHFFFAOYSA-N
MW379.84 g/mol
LogP2.04
Rot. Bonds5

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

5-[3-[4-(4-chloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 139529972) has the molecular formula C18H22ClN3O4 and a molecular weight of 379.84 g/mol. Its IUPAC name is 5-[3-[4-(4-chloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(4-chloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID139529972
Molecular FormulaC18H22ClN3O4
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC Name5-[3-[4-(4-chloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCOc1cc(Cl)ccc1C1CCN(C(=O)CCC2NC(=O)NC2=O)CC1
InChIInChI=1S/C18H22ClN3O4/c1-26-15-10-12(19)2-3-13(15)11-6-8-22(9-7-11)16(23)5-4-14-17(24)21-18(25)20-14/h2-3,10-11,14H,4-9H2,1H3,(H2,20,21,24,25)
InChIKeyCEERBOLRKVDRQK-UHFFFAOYSA-N
XLogP2.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-chloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(4-chloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 139529972) is 5-[3-[4-(4-chloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(4-chloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(4-chloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is COc1cc(Cl)ccc1C1CCN(C(=O)CCC2NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[3-[4-(4-chloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is CEERBOLRKVDRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4/c1-26-15-10-12(19)2-3-13(15)11-6-8-22(9-7-11)16(23)5-4-14-17(24)21-18(25)20-14/h2-3,10-11,14H,4-9H2,1H3,(H2,20,21,24,25).
What are the key properties of 5-[3-[4-(4-chloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-[3-[4-(4-chloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 379.84 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-chloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 139529972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).