3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione

C18H23N3O6 — CID 121160384

IUPAC3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)c(OC)c1OC
InChIInChI=1S/C18H23N3O6/c1-25-13-5-4-12(15(26-2)16(13)27-3)17(23)20-8-6-11(7-9-20)21-14(22)10-19-18(21)24/h4-5,11H,6-10H2,1-3H3,(H,19,24)
InChIKeyZWGPZAXMOOJABX-UHFFFAOYSA-N
MW377.40 g/mol
LogP0.87
Rot. Bonds5

About 3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione

3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121160384) has the molecular formula C18H23N3O6 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121160384
Molecular FormulaC18H23N3O6
Molecular Weight377.40 g/mol
Exact Mass377.16
IUPAC Name3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)c(OC)c1OC
InChIInChI=1S/C18H23N3O6/c1-25-13-5-4-12(15(26-2)16(13)27-3)17(23)20-8-6-11(7-9-20)21-14(22)10-19-18(21)24/h4-5,11H,6-10H2,1-3H3,(H,19,24)
InChIKeyZWGPZAXMOOJABX-UHFFFAOYSA-N
XLogP0.87
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160226
3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159752
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 43635827
3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160255
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160382
3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 171139192
[3-(aminomethyl)pyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 62069454
(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 71851779
3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 121160307
4-(2,3,4-trimethoxybenzoyl)piperazin-2-one
CID 31096069
(4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 121187010

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 121160384) is 3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione is COc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)c(OC)c1OC.
What is the InChIKey of 3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is ZWGPZAXMOOJABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6/c1-25-13-5-4-12(15(26-2)16(13)27-3)17(23)20-8-6-11(7-9-20)21-14(22)10-19-18(21)24/h4-5,11H,6-10H2,1-3H3,(H,19,24).
What are the key properties of 3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 377.40 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).