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

C17H21N3O5 — CID 121160226

IUPAC3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1cccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)c1OC
InChIInChI=1S/C17H21N3O5/c1-24-13-5-3-4-12(15(13)25-2)16(22)19-8-6-11(7-9-19)20-14(21)10-18-17(20)23/h3-5,11H,6-10H2,1-2H3,(H,18,23)
InChIKeyZWAUGYFIRWFIMF-UHFFFAOYSA-N
MW347.37 g/mol
LogP0.86
Rot. Bonds4

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

3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121160226) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121160226
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1cccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)c1OC
InChIInChI=1S/C17H21N3O5/c1-24-13-5-3-4-12(15(13)25-2)16(22)19-8-6-11(7-9-19)20-14(21)10-18-17(20)23/h3-5,11H,6-10H2,1-2H3,(H,18,23)
InChIKeyZWAUGYFIRWFIMF-UHFFFAOYSA-N
XLogP0.86
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160384
3-[1-(naphthalene-1-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160397
3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159752
3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160255
1-(2,3-dimethoxybenzoyl)-1,4-diazepan-5-one
CID 60707925
(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647989
(4-amino-3-methylpiperidin-1-yl)-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119592562
(2,3-dimethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999366
3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160175
3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 121160307
[3-(chloromethyl)pyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 63396306
(2,3-dimethoxyphenyl)-[(3S)-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]methanone
CID 124741062

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 121160226) is 3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione is COc1cccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)c1OC.
What is the InChIKey of 3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is ZWAUGYFIRWFIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-24-13-5-3-4-12(15(13)25-2)16(22)19-8-6-11(7-9-19)20-14(21)10-18-17(20)23/h3-5,11H,6-10H2,1-2H3,(H,18,23).
What are the key properties of 3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 347.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).