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

C17H22F3N3O — CID 95159594

IUPAC1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one
SMILESC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C17H22F3N3O/c1-12(13-2-4-14(5-3-13)17(18,19)20)22-9-6-15(7-10-22)23-11-8-21-16(23)24/h2-5,12,15H,6-11H2,1H3,(H,21,24)/t12-/m0/s1
InChIKeyXPVXWYSODDSKIO-LBPRGKRZSA-N
MW341.38 g/mol
LogP3.26
Rot. Bonds3

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

1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 95159594) has the molecular formula C17H22F3N3O and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID95159594
Molecular FormulaC17H22F3N3O
Molecular Weight341.38 g/mol
Exact Mass341.17
IUPAC Name1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one
SMILESC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C17H22F3N3O/c1-12(13-2-4-14(5-3-13)17(18,19)20)22-9-6-15(7-10-22)23-11-8-21-16(23)24/h2-5,12,15H,6-11H2,1H3,(H,21,24)/t12-/m0/s1
InChIKeyXPVXWYSODDSKIO-LBPRGKRZSA-N
XLogP3.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one (CID 95159594) is 1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one is C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is XPVXWYSODDSKIO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22F3N3O/c1-12(13-2-4-14(5-3-13)17(18,19)20)22-9-6-15(7-10-22)23-11-8-21-16(23)24/h2-5,12,15H,6-11H2,1H3,(H,21,24)/t12-/m0/s1.
What are the key properties of 1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 341.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 95159594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).