N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide

C21H29FN6O2 — CID 26324074

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1
InChIInChI=1S/C21H29FN6O2/c22-20-6-2-1-4-18(20)13-26-9-7-17(8-10-26)12-27(14-19-5-3-11-30-19)21(29)15-28-16-23-24-25-28/h1-2,4,6,16-17,19H,3,5,7-15H2/t19-/m1/s1
InChIKeyLNHIWAQWQFHSJF-LJQANCHMSA-N
MW416.50 g/mol
LogP1.73
Rot. Bonds8

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 26324074) has the molecular formula C21H29FN6O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID26324074
Molecular FormulaC21H29FN6O2
Molecular Weight416.50 g/mol
Exact Mass416.23
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1
InChIInChI=1S/C21H29FN6O2/c22-20-6-2-1-4-18(20)13-26-9-7-17(8-10-26)12-27(14-19-5-3-11-30-19)21(29)15-28-16-23-24-25-28/h1-2,4,6,16-17,19H,3,5,7-15H2/t19-/m1/s1
InChIKeyLNHIWAQWQFHSJF-LJQANCHMSA-N
XLogP1.73
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide (CID 26324074) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is LNHIWAQWQFHSJF-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29FN6O2/c22-20-6-2-1-4-18(20)13-26-9-7-17(8-10-26)12-27(14-19-5-3-11-30-19)21(29)15-28-16-23-24-25-28/h1-2,4,6,16-17,19H,3,5,7-15H2/t19-/m1/s1.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 416.50 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 26324074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).