1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one

C20H29N3O2 — CID 46335587

IUPAC1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one
SMILESCCCN1CCN(C2CCN(C(=O)c3ccc(CC)cc3)CC2)C1=O
InChIInChI=1S/C20H29N3O2/c1-3-11-22-14-15-23(20(22)25)18-9-12-21(13-10-18)19(24)17-7-5-16(4-2)6-8-17/h5-8,18H,3-4,9-15H2,1-2H3
InChIKeyNHIZIRFYJBRNQU-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.00
Rot. Bonds5

About 1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one

1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one (PubChem CID 46335587) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one
PubChem CID46335587
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one
SMILESCCCN1CCN(C2CCN(C(=O)c3ccc(CC)cc3)CC2)C1=O
InChIInChI=1S/C20H29N3O2/c1-3-11-22-14-15-23(20(22)25)18-9-12-21(13-10-18)19(24)17-7-5-16(4-2)6-8-17/h5-8,18H,3-4,9-15H2,1-2H3
InChIKeyNHIZIRFYJBRNQU-UHFFFAOYSA-N
XLogP3.00
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one
CID 46335596
1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one
CID 50789347
1-benzyl-3-[1-(4-fluorobenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 50789317
[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
CID 118929982
[4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane
CID 144801733
(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819285
1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 51101239
[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 71784741
1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]piperazine-2,3-dione
CID 53053317
(3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95101218
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one?
The IUPAC name of 1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one (CID 46335587) is 1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one.
What is the SMILES notation for 1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one?
The canonical SMILES for 1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one is CCCN1CCN(C2CCN(C(=O)c3ccc(CC)cc3)CC2)C1=O.
What is the InChIKey of 1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one?
The InChIKey is NHIZIRFYJBRNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-11-22-14-15-23(20(22)25)18-9-12-21(13-10-18)19(24)17-7-5-16(4-2)6-8-17/h5-8,18H,3-4,9-15H2,1-2H3.
What are the key properties of 1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one?
1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one has a molecular weight of 343.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one is sourced from PubChem (CID 46335587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).