1-(piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C16H20F3N3O — CID 46881466

IUPAC1-(piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(CC2CCCCN2)CCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3N3O/c17-16(18,19)12-4-3-6-14(10-12)22-9-8-21(15(22)23)11-13-5-1-2-7-20-13/h3-4,6,10,13,20H,1-2,5,7-9,11H2
InChIKeyAREYZFZATPKFNP-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.09
Rot. Bonds3

About 1-(piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

1-(piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 46881466) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is 1-(piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID46881466
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name1-(piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(CC2CCCCN2)CCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3N3O/c17-16(18,19)12-4-3-6-14(10-12)22-9-8-21(15(22)23)11-13-5-1-2-7-20-13/h3-4,6,10,13,20H,1-2,5,7-9,11H2
InChIKeyAREYZFZATPKFNP-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-(piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 46881466) is 1-(piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is O=C1N(CC2CCCCN2)CCN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is AREYZFZATPKFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O/c17-16(18,19)12-4-3-6-14(10-12)22-9-8-21(15(22)23)11-13-5-1-2-7-20-13/h3-4,6,10,13,20H,1-2,5,7-9,11H2.
What are the key properties of 1-(piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-(piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 327.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 46881466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).