3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one

C22H23F3N6O — CID 92616533

IUPAC3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESO=C(CCn1cnnn1)N1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1
InChIInChI=1S/C22H23F3N6O/c23-22(24,25)19-5-1-3-16(12-19)11-17-6-7-20(26-13-17)18-4-2-9-30(14-18)21(32)8-10-31-15-27-28-29-31/h1,3,5-7,12-13,15,18H,2,4,8-11,14H2/t18-/m1/s1
InChIKeyOGYYAULNOXIDOQ-GOSISDBHSA-N
MW444.46 g/mol
LogP3.47
Rot. Bonds6

About 3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one

3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 92616533) has the molecular formula C22H23F3N6O and a molecular weight of 444.46 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
PubChem CID92616533
Molecular FormulaC22H23F3N6O
Molecular Weight444.46 g/mol
Exact Mass444.19
IUPAC Name3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESO=C(CCn1cnnn1)N1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1
InChIInChI=1S/C22H23F3N6O/c23-22(24,25)19-5-1-3-16(12-19)11-17-6-7-20(26-13-17)18-4-2-9-30(14-18)21(32)8-10-31-15-27-28-29-31/h1,3,5-7,12-13,15,18H,2,4,8-11,14H2/t18-/m1/s1
InChIKeyOGYYAULNOXIDOQ-GOSISDBHSA-N
XLogP3.47
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one (CID 92616533) is 3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one is O=C(CCn1cnnn1)N1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1.
What is the InChIKey of 3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one?
The InChIKey is OGYYAULNOXIDOQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23F3N6O/c23-22(24,25)19-5-1-3-16(12-19)11-17-6-7-20(26-13-17)18-4-2-9-30(14-18)21(32)8-10-31-15-27-28-29-31/h1,3,5-7,12-13,15,18H,2,4,8-11,14H2/t18-/m1/s1.
What are the key properties of 3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one?
3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 444.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92616533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).