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

C19H26FN3O3 — CID 46335596

IUPAC1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one
SMILESCCCN1CCN(C2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)C1=O
InChIInChI=1S/C19H26FN3O3/c1-3-8-22-11-12-23(19(22)25)15-6-9-21(10-7-15)18(24)14-4-5-17(26-2)16(20)13-14/h4-5,13,15H,3,6-12H2,1-2H3
InChIKeyYZUWHCBCUMKIQD-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.59
Rot. Bonds5

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

1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one (PubChem CID 46335596) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one
PubChem CID46335596
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one
SMILESCCCN1CCN(C2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)C1=O
InChIInChI=1S/C19H26FN3O3/c1-3-8-22-11-12-23(19(22)25)15-6-9-21(10-7-15)18(24)14-4-5-17(26-2)16(20)13-14/h4-5,13,15H,3,6-12H2,1-2H3
InChIKeyYZUWHCBCUMKIQD-UHFFFAOYSA-N
XLogP2.59
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 80678015
[4-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63597078
(3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124892538
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
(3-chloropyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63394230
[4-(2-bromoethoxy)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 82688043
[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 138988329
(3-fluoro-4-methoxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627165
1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
(3-fluoro-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501438
cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801032
[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 99795437

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one?
The IUPAC name of 1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one (CID 46335596) is 1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one.
What is the SMILES notation for 1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one?
The canonical SMILES for 1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one is CCCN1CCN(C2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)C1=O.
What is the InChIKey of 1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one?
The InChIKey is YZUWHCBCUMKIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-3-8-22-11-12-23(19(22)25)15-6-9-21(10-7-15)18(24)14-4-5-17(26-2)16(20)13-14/h4-5,13,15H,3,6-12H2,1-2H3.
What are the key properties of 1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one?
1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one has a molecular weight of 363.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one is sourced from PubChem (CID 46335596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).