3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione

C17H20N2O5 — CID 121156494

IUPAC3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCCOc1ccc(C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1
InChIInChI=1S/C17H20N2O5/c1-2-23-14-5-3-12(4-6-14)16(21)18-9-7-13(8-10-18)19-15(20)11-24-17(19)22/h3-6,13H,2,7-11H2,1H3
InChIKeyPBZGXAOPTSFDAP-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.67
Rot. Bonds4

About 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione

3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 121156494) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID121156494
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCCOc1ccc(C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1
InChIInChI=1S/C17H20N2O5/c1-2-23-14-5-3-12(4-6-14)16(21)18-9-7-13(8-10-18)19-15(20)11-24-17(19)22/h3-6,13H,2,7-11H2,1H3
InChIKeyPBZGXAOPTSFDAP-UHFFFAOYSA-N
XLogP1.67
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 121156681
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one
CID 50789347
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
(4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178518
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 124850656
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245657
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95320672
3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160382
[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 129403111

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione (CID 121156494) is 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione is CCOc1ccc(C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1.
What is the InChIKey of 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is PBZGXAOPTSFDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-2-23-14-5-3-12(4-6-14)16(21)18-9-7-13(8-10-18)19-15(20)11-24-17(19)22/h3-6,13H,2,7-11H2,1H3.
What are the key properties of 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 332.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121156494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).