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

C19H25N3O5 — CID 121160382

IUPAC3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCOc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1OCC
InChIInChI=1S/C19H25N3O5/c1-3-26-15-6-5-13(11-16(15)27-4-2)18(24)21-9-7-14(8-10-21)22-17(23)12-20-19(22)25/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,20,25)
InChIKeyNOBUDASJYOHAIM-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.64
Rot. Bonds6

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

3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121160382) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121160382
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCOc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1OCC
InChIInChI=1S/C19H25N3O5/c1-3-26-15-6-5-13(11-16(15)27-4-2)18(24)21-9-7-14(8-10-21)22-17(23)12-20-19(22)25/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,20,25)
InChIKeyNOBUDASJYOHAIM-UHFFFAOYSA-N
XLogP1.64
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.64
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

(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160175
(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400534
1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 46576371
(3,4-diethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999371
3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160384
(3,4-diethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348611
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 121160382) is 3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione is CCOc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1OCC.
What is the InChIKey of 3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is NOBUDASJYOHAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-3-26-15-6-5-13(11-16(15)27-4-2)18(24)21-9-7-14(8-10-21)22-17(23)12-20-19(22)25/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,20,25).
What are the key properties of 3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 375.43 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).