N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide

C23H23F3N4O2 — CID 66928193

IUPACN-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1OC1CCNCC1
InChIInChI=1S/C23H23F3N4O2/c1-30-20(10-13-28-30)19-14-17(6-7-21(19)32-18-8-11-27-12-9-18)29-22(31)15-2-4-16(5-3-15)23(24,25)26/h2-7,10,13-14,18,27H,8-9,11-12H2,1H3,(H,29,31)
InChIKeyNCNLVPQKCBPIID-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.49
Rot. Bonds5

About N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide

N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide (PubChem CID 66928193) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide
PubChem CID66928193
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC NameN-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1OC1CCNCC1
InChIInChI=1S/C23H23F3N4O2/c1-30-20(10-13-28-30)19-14-17(6-7-21(19)32-18-8-11-27-12-9-18)29-22(31)15-2-4-16(5-3-15)23(24,25)26/h2-7,10,13-14,18,27H,8-9,11-12H2,1H3,(H,29,31)
InChIKeyNCNLVPQKCBPIID-UHFFFAOYSA-N
XLogP4.49
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide (CID 66928193) is N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide is Cn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1OC1CCNCC1.
What is the InChIKey of N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is NCNLVPQKCBPIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-30-20(10-13-28-30)19-14-17(6-7-21(19)32-18-8-11-27-12-9-18)29-22(31)15-2-4-16(5-3-15)23(24,25)26/h2-7,10,13-14,18,27H,8-9,11-12H2,1H3,(H,29,31).
What are the key properties of N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide?
N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 444.46 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 66928193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).