1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazolidin-2-one

C16H20F3N3O — CID 56815345

IUPAC1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H20F3N3O/c17-16(18,19)13-3-1-12(2-4-13)11-21-8-5-14(6-9-21)22-10-7-20-15(22)23/h1-4,14H,5-11H2,(H,20,23)
InChIKeyZWWRPQFUNFMYDP-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.69
Rot. Bonds3

About 1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 56815345) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is 1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID56815345
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H20F3N3O/c17-16(18,19)13-3-1-12(2-4-13)11-21-8-5-14(6-9-21)22-10-7-20-15(22)23/h1-4,14H,5-11H2,(H,20,23)
InChIKeyZWWRPQFUNFMYDP-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176
(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
Simufilam
CID 46195331
4-Phenylimidazolidin-2-one
CID 322644
5-(4-((4'-fluorobiphenyl-4-yl)methyl)piperazin-1-yl)-1H-benzo[d]imidazol-2(3H)-one (6b)
CID 131635612
1-(2-Fluorobenzyl)imidazolidin-2-one
CID 3244179

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazolidin-2-one (CID 56815345) is 1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazolidin-2-one is O=C1NCCN1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is ZWWRPQFUNFMYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O/c17-16(18,19)13-3-1-12(2-4-13)11-21-8-5-14(6-9-21)22-10-7-20-15(22)23/h1-4,14H,5-11H2,(H,20,23).
What are the key properties of 1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 327.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 56815345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).