(2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide

C18H24F3N3O2 — CID 46872993

IUPAC(2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1CCCCN1CC1CCOCC1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)14-4-5-16(22-11-14)23-17(25)15-3-1-2-8-24(15)12-13-6-9-26-10-7-13/h4-5,11,13,15H,1-3,6-10,12H2,(H,22,23,25)/t15-/m0/s1
InChIKeyFOMBGGPDUDNVJO-HNNXBMFYSA-N
MW371.40 g/mol
LogP3.32
Rot. Bonds4

About (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide

(2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide (PubChem CID 46872993) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide
PubChem CID46872993
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name(2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1CCCCN1CC1CCOCC1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)14-4-5-16(22-11-14)23-17(25)15-3-1-2-8-24(15)12-13-6-9-26-10-7-13/h4-5,11,13,15H,1-3,6-10,12H2,(H,22,23,25)/t15-/m0/s1
InChIKeyFOMBGGPDUDNVJO-HNNXBMFYSA-N
XLogP3.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide (CID 46872993) is (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1CCCCN1CC1CCOCC1.
What is the InChIKey of (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide?
The InChIKey is FOMBGGPDUDNVJO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c19-18(20,21)14-4-5-16(22-11-14)23-17(25)15-3-1-2-8-24(15)12-13-6-9-26-10-7-13/h4-5,11,13,15H,1-3,6-10,12H2,(H,22,23,25)/t15-/m0/s1.
What are the key properties of (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide?
(2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide is sourced from PubChem (CID 46872993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).