2H-benzotriazol-5-yl-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone

C23H26FN5O2 — CID 90616872

IUPAC2H-benzotriazol-5-yl-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1
InChIInChI=1S/C23H26FN5O2/c24-19-3-1-2-4-22(19)31-18-9-13-28(14-10-18)17-7-11-29(12-8-17)23(30)16-5-6-20-21(15-16)26-27-25-20/h1-6,15,17-18H,7-14H2,(H,25,26,27)
InChIKeyBMYQCPOSOLPKPE-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.24
Rot. Bonds4

About 2H-benzotriazol-5-yl-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone

2H-benzotriazol-5-yl-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 90616872) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID90616872
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name2H-benzotriazol-5-yl-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1
InChIInChI=1S/C23H26FN5O2/c24-19-3-1-2-4-22(19)31-18-9-13-28(14-10-18)17-7-11-29(12-8-17)23(30)16-5-6-20-21(15-16)26-27-25-20/h1-6,15,17-18H,7-14H2,(H,25,26,27)
InChIKeyBMYQCPOSOLPKPE-UHFFFAOYSA-N
XLogP3.24
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone (CID 90616872) is 2H-benzotriazol-5-yl-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone is O=C(c1ccc2n[nH]nc2c1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1.
What is the InChIKey of 2H-benzotriazol-5-yl-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is BMYQCPOSOLPKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c24-19-3-1-2-4-22(19)31-18-9-13-28(14-10-18)17-7-11-29(12-8-17)23(30)16-5-6-20-21(15-16)26-27-25-20/h1-6,15,17-18H,7-14H2,(H,25,26,27).
What are the key properties of 2H-benzotriazol-5-yl-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone?
2H-benzotriazol-5-yl-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 423.49 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90616872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).