1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide

C26H21F6N3O3 — CID 71682815

IUPAC1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Oc2ccccn2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C26H21F6N3O3/c27-25(28,29)18-11-17(12-19(13-18)26(30,31)32)24(37)35-10-4-5-16(15-35)23(36)34-20-6-3-7-21(14-20)38-22-8-1-2-9-33-22/h1-3,6-9,11-14,16H,4-5,10,15H2,(H,34,36)
InChIKeyAGGCJNQGLWXFNU-UHFFFAOYSA-N
MW537.46 g/mol
LogP6.40
Rot. Bonds5

About 1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide

1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 71682815) has the molecular formula C26H21F6N3O3 and a molecular weight of 537.46 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide
PubChem CID71682815
Molecular FormulaC26H21F6N3O3
Molecular Weight537.46 g/mol
Exact Mass537.15
IUPAC Name1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Oc2ccccn2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C26H21F6N3O3/c27-25(28,29)18-11-17(12-19(13-18)26(30,31)32)24(37)35-10-4-5-16(15-35)23(36)34-20-6-3-7-21(14-20)38-22-8-1-2-9-33-22/h1-3,6-9,11-14,16H,4-5,10,15H2,(H,34,36)
InChIKeyAGGCJNQGLWXFNU-UHFFFAOYSA-N
XLogP6.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.46
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide (CID 71682815) is 1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide is O=C(Nc1cccc(Oc2ccccn2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is AGGCJNQGLWXFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F6N3O3/c27-25(28,29)18-11-17(12-19(13-18)26(30,31)32)24(37)35-10-4-5-16(15-35)23(36)34-20-6-3-7-21(14-20)38-22-8-1-2-9-33-22/h1-3,6-9,11-14,16H,4-5,10,15H2,(H,34,36).
What are the key properties of 1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide?
1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 537.46 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-pyridin-2-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 71682815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).