1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one

C19H27N3O3 — CID 50789347

IUPAC1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one
SMILESCCOc1ccc(C(=O)N2CCC(N3CCN(CC)C3=O)CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-3-20-13-14-22(19(20)24)16-9-11-21(12-10-16)18(23)15-5-7-17(8-6-15)25-4-2/h5-8,16H,3-4,9-14H2,1-2H3
InChIKeyPDQQNJKKWKBPSB-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.45
Rot. Bonds5

About 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one

1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one (PubChem CID 50789347) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one
PubChem CID50789347
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one
SMILESCCOc1ccc(C(=O)N2CCC(N3CCN(CC)C3=O)CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-3-20-13-14-22(19(20)24)16-9-11-21(12-10-16)18(23)15-5-7-17(8-6-15)25-4-2/h5-8,16H,3-4,9-14H2,1-2H3
InChIKeyPDQQNJKKWKBPSB-UHFFFAOYSA-N
XLogP2.45
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]piperazine-2,3-dione
CID 53053317
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one
CID 46335587
(4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178518
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156494
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245657
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one
CID 46335596
1-benzyl-3-[1-(4-fluorobenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 50789317
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one?
The IUPAC name of 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one (CID 50789347) is 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one.
What is the SMILES notation for 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one?
The canonical SMILES for 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one is CCOc1ccc(C(=O)N2CCC(N3CCN(CC)C3=O)CC2)cc1.
What is the InChIKey of 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one?
The InChIKey is PDQQNJKKWKBPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-20-13-14-22(19(20)24)16-9-11-21(12-10-16)18(23)15-5-7-17(8-6-15)25-4-2/h5-8,16H,3-4,9-14H2,1-2H3.
What are the key properties of 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one?
1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one has a molecular weight of 345.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one is sourced from PubChem (CID 50789347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).