1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one

C15H20FN3O — CID 50742706

IUPAC1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
SMILESO=C1N(Cc2cccc(F)c2)CCN1C1CCNCC1
InChIInChI=1S/C15H20FN3O/c16-13-3-1-2-12(10-13)11-18-8-9-19(15(18)20)14-4-6-17-7-5-14/h1-3,10,14,17H,4-9,11H2
InChIKeyVWERWUASJRYPHU-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.82
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one

1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one (PubChem CID 50742706) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
PubChem CID50742706
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
SMILESO=C1N(Cc2cccc(F)c2)CCN1C1CCNCC1
InChIInChI=1S/C15H20FN3O/c16-13-3-1-2-12(10-13)11-18-8-9-19(15(18)20)14-4-6-17-7-5-14/h1-3,10,14,17H,4-9,11H2
InChIKeyVWERWUASJRYPHU-UHFFFAOYSA-N
XLogP1.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
1-Benzylimidazolidin-2-one
CID 231403
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 9950165
N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176
(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
N-benzylpyrrolidine-1-carboxamide
CID 6459037

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one (CID 50742706) is 1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one is O=C1N(Cc2cccc(F)c2)CCN1C1CCNCC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one?
The InChIKey is VWERWUASJRYPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-13-3-1-2-12(10-13)11-18-8-9-19(15(18)20)14-4-6-17-7-5-14/h1-3,10,14,17H,4-9,11H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one?
1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one has a molecular weight of 277.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one is sourced from PubChem (CID 50742706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).