N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C20H22F3N3O4 — CID 138994950

IUPACN-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESCc1ccn(C)c(=O)c1NC(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C20H22F3N3O4/c1-13-6-9-25(2)17(27)16(13)24-18(28)26-10-7-19(29,8-11-26)14-4-3-5-15(12-14)30-20(21,22)23/h3-6,9,12,29H,7-8,10-11H2,1-2H3,(H,24,28)
InChIKeyPCQJNIYRYYWYRZ-UHFFFAOYSA-N
MW425.41 g/mol
LogP3.11
Rot. Bonds3

About N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 138994950) has the molecular formula C20H22F3N3O4 and a molecular weight of 425.41 g/mol. Its IUPAC name is N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID138994950
Molecular FormulaC20H22F3N3O4
Molecular Weight425.41 g/mol
Exact Mass425.16
IUPAC NameN-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESCc1ccn(C)c(=O)c1NC(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C20H22F3N3O4/c1-13-6-9-25(2)17(27)16(13)24-18(28)26-10-7-19(29,8-11-26)14-4-3-5-15(12-14)30-20(21,22)23/h3-6,9,12,29H,7-8,10-11H2,1-2H3,(H,24,28)
InChIKeyPCQJNIYRYYWYRZ-UHFFFAOYSA-N
XLogP3.11
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 138994950) is N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is Cc1ccn(C)c(=O)c1NC(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is PCQJNIYRYYWYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4/c1-13-6-9-25(2)17(27)16(13)24-18(28)26-10-7-19(29,8-11-26)14-4-3-5-15(12-14)30-20(21,22)23/h3-6,9,12,29H,7-8,10-11H2,1-2H3,(H,24,28).
What are the key properties of N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 425.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 138994950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).