pyrrolidin-1-yl-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanone

C19H23F3N6O — CID 55857334

IUPACpyrrolidin-1-yl-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1)N1CCCC1
InChIInChI=1S/C19H23F3N6O/c20-19(21,22)15-3-5-16(6-4-15)28-17(23-24-25-28)13-26-11-7-14(8-12-26)18(29)27-9-1-2-10-27/h3-6,14H,1-2,7-13H2
InChIKeyIZMAWEIKCVVQOW-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.52
Rot. Bonds4

About pyrrolidin-1-yl-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanone

pyrrolidin-1-yl-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanone (PubChem CID 55857334) has the molecular formula C19H23F3N6O and a molecular weight of 408.43 g/mol. Its IUPAC name is pyrrolidin-1-yl-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanone
PubChem CID55857334
Molecular FormulaC19H23F3N6O
Molecular Weight408.43 g/mol
Exact Mass408.19
IUPAC Namepyrrolidin-1-yl-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1)N1CCCC1
InChIInChI=1S/C19H23F3N6O/c20-19(21,22)15-3-5-16(6-4-15)28-17(23-24-25-28)13-26-11-7-14(8-12-26)18(29)27-9-1-2-10-27/h3-6,14H,1-2,7-13H2
InChIKeyIZMAWEIKCVVQOW-UHFFFAOYSA-N
XLogP2.52
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanone (CID 55857334) is pyrrolidin-1-yl-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanone is O=C(C1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanone?
The InChIKey is IZMAWEIKCVVQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O/c20-19(21,22)15-3-5-16(6-4-15)28-17(23-24-25-28)13-26-11-7-14(8-12-26)18(29)27-9-1-2-10-27/h3-6,14H,1-2,7-13H2.
What are the key properties of pyrrolidin-1-yl-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanone?
pyrrolidin-1-yl-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanone has a molecular weight of 408.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 55857334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).