(2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide

C21H24F3N3O2 — CID 26408010

IUPAC(2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCCN1CCCC(F)(F)F
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)12-6-14-27-13-5-4-9-18(27)20(28)26-16-10-11-19(25-15-16)29-17-7-2-1-3-8-17/h1-3,7-8,10-11,15,18H,4-6,9,12-14H2,(H,26,28)/t18-/m1/s1
InChIKeyYGFTXZRVWXHIJI-GOSISDBHSA-N
MW407.44 g/mol
LogP5.01
Rot. Bonds7

About (2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide

(2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide (PubChem CID 26408010) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is (2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
PubChem CID26408010
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name(2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCCN1CCCC(F)(F)F
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)12-6-14-27-13-5-4-9-18(27)20(28)26-16-10-11-19(25-15-16)29-17-7-2-1-3-8-17/h1-3,7-8,10-11,15,18H,4-6,9,12-14H2,(H,26,28)/t18-/m1/s1
InChIKeyYGFTXZRVWXHIJI-GOSISDBHSA-N
XLogP5.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide (CID 26408010) is (2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide is O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCCN1CCCC(F)(F)F.
What is the InChIKey of (2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide?
The InChIKey is YGFTXZRVWXHIJI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c22-21(23,24)12-6-14-27-13-5-4-9-18(27)20(28)26-16-10-11-19(25-15-16)29-17-7-2-1-3-8-17/h1-3,7-8,10-11,15,18H,4-6,9,12-14H2,(H,26,28)/t18-/m1/s1.
What are the key properties of (2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide?
(2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide is sourced from PubChem (CID 26408010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).