3-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

C17H22F3N3O3 — CID 56906935

IUPAC3-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C17H22F3N3O3/c18-17(19,20)14-2-1-13(15(25)21-14)16(26)23-7-3-11(4-8-23)22-9-5-12(24)6-10-22/h1-2,11-12,24H,3-10H2,(H,21,25)
InChIKeyVLMAGIBRKVVRCU-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.46
Rot. Bonds2

About 3-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 56906935) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 3-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID56906935
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name3-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C17H22F3N3O3/c18-17(19,20)14-2-1-13(15(25)21-14)16(26)23-7-3-11(4-8-23)22-9-5-12(24)6-10-22/h1-2,11-12,24H,3-10H2,(H,21,25)
InChIKeyVLMAGIBRKVVRCU-UHFFFAOYSA-N
XLogP1.46
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 56906935) is 3-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC(N2CCC(O)CC2)CC1.
What is the InChIKey of 3-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is VLMAGIBRKVVRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c18-17(19,20)14-2-1-13(15(25)21-14)16(26)23-7-3-11(4-8-23)22-9-5-12(24)6-10-22/h1-2,11-12,24H,3-10H2,(H,21,25).
What are the key properties of 3-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 373.38 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 56906935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).