1-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one

C15H20FN3O — CID 67533977

IUPAC1-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one
SMILESCN1CCC(c2ccc(F)cc2)(N2CCNC2=O)CC1
InChIInChI=1S/C15H20FN3O/c1-18-9-6-15(7-10-18,19-11-8-17-14(19)20)12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3,(H,17,20)
InChIKeyULHACGQRKZNVNT-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.77
Rot. Bonds2

About 1-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one

1-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one (PubChem CID 67533977) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one
PubChem CID67533977
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one
SMILESCN1CCC(c2ccc(F)cc2)(N2CCNC2=O)CC1
InChIInChI=1S/C15H20FN3O/c1-18-9-6-15(7-10-18,19-11-8-17-14(19)20)12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3,(H,17,20)
InChIKeyULHACGQRKZNVNT-UHFFFAOYSA-N
XLogP1.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Vestipitant
CID 9832383
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
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
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-Methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-1-(3-phenyl-propyl)-pyrrolidinium
CID 16125331
3-(1-Benzyl-azepin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125370
1-methyl-3-(R)-[4,4-Bis-(4-fluoro-phenyl)-2-oxo-imidazolidin-1-yl]-1-phenethyl-pyrrolidinium
CID 16664965
(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
CID 44140365
N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one (CID 67533977) is 1-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one is CN1CCC(c2ccc(F)cc2)(N2CCNC2=O)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one?
The InChIKey is ULHACGQRKZNVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-18-9-6-15(7-10-18,19-11-8-17-14(19)20)12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3,(H,17,20).
What are the key properties of 1-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one?
1-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one has a molecular weight of 277.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 67533977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).