(3-phenyl-1H-pyrazol-5-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone

C23H27N5O2S — CID 86264476

IUPAC(3-phenyl-1H-pyrazol-5-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C23H27N5O2S/c29-22(21-16-20(25-26-21)17-4-2-1-3-5-17)28-11-6-18(7-12-28)27-13-8-19(9-14-27)30-23-24-10-15-31-23/h1-5,10,15-16,18-19H,6-9,11-14H2,(H,25,26)
InChIKeyDACHHMFORLFKSE-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.68
Rot. Bonds5

About (3-phenyl-1H-pyrazol-5-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone

(3-phenyl-1H-pyrazol-5-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 86264476) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is (3-phenyl-1H-pyrazol-5-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-phenyl-1H-pyrazol-5-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID86264476
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name(3-phenyl-1H-pyrazol-5-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C23H27N5O2S/c29-22(21-16-20(25-26-21)17-4-2-1-3-5-17)28-11-6-18(7-12-28)27-13-8-19(9-14-27)30-23-24-10-15-31-23/h1-5,10,15-16,18-19H,6-9,11-14H2,(H,25,26)
InChIKeyDACHHMFORLFKSE-UHFFFAOYSA-N
XLogP3.68
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (CID 86264476) is (3-phenyl-1H-pyrazol-5-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-phenyl-1H-pyrazol-5-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-phenyl-1H-pyrazol-5-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.
What is the InChIKey of (3-phenyl-1H-pyrazol-5-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is DACHHMFORLFKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c29-22(21-16-20(25-26-21)17-4-2-1-3-5-17)28-11-6-18(7-12-28)27-13-8-19(9-14-27)30-23-24-10-15-31-23/h1-5,10,15-16,18-19H,6-9,11-14H2,(H,25,26).
What are the key properties of (3-phenyl-1H-pyrazol-5-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
(3-phenyl-1H-pyrazol-5-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 437.57 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1H-pyrazol-5-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 86264476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).