[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C23H24F3N3O3 — CID 91913930

IUPAC[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1
InChIInChI=1S/C23H24F3N3O3/c24-23(25,26)17-7-4-6-16(14-17)21(30)29-13-9-18(15-29)32-20-19(8-5-10-27-20)22(31)28-11-2-1-3-12-28/h4-8,10,14,18H,1-3,9,11-13,15H2
InChIKeyCDMWFNRSTGHBNT-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.02
Rot. Bonds4

About [3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 91913930) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is [3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID91913930
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC Name[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1
InChIInChI=1S/C23H24F3N3O3/c24-23(25,26)17-7-4-6-16(14-17)21(30)29-13-9-18(15-29)32-20-19(8-5-10-27-20)22(31)28-11-2-1-3-12-28/h4-8,10,14,18H,1-3,9,11-13,15H2
InChIKeyCDMWFNRSTGHBNT-UHFFFAOYSA-N
XLogP4.02
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US9546152, example 62
CID 74221626
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CID 45487805
2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 2080643
US9546152, example 17
CID 74222327
US9546152, example 29
CID 74222492
(2E)-1-[2-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-hydroxyiminoethanone
CID 86276159
[4,4-Difluoro-3-[5-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90286502
N-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 127044249
2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide
CID 2532761
(4-Benzhydrylpiperazin-1-yl)-(2-ethoxy-3-pyridinyl)methanone
CID 4878666
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-ethoxy-N-methylpyridine-3-carboxamide
CID 4882369
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31959558

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 91913930) is [3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1.
What is the InChIKey of [3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is CDMWFNRSTGHBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c24-23(25,26)17-7-4-6-16(14-17)21(30)29-13-9-18(15-29)32-20-19(8-5-10-27-20)22(31)28-11-2-1-3-12-28/h4-8,10,14,18H,1-3,9,11-13,15H2.
What are the key properties of [3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 447.46 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 91913930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).