6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide

C25H37F3N4O3 — CID 129116262

IUPAC6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide
SMILESCc1nc(N2CCC(C3CCN(C(=O)[C@](O)(C(C)C)C(F)(F)F)CC3)CC2)ccc1C(=O)N(C)C
InChIInChI=1S/C25H37F3N4O3/c1-16(2)24(35,25(26,27)28)23(34)32-14-10-19(11-15-32)18-8-12-31(13-9-18)21-7-6-20(17(3)29-21)22(33)30(4)5/h6-7,16,18-19,35H,8-15H2,1-5H3/t24-/m1/s1
InChIKeyFUUWFFFDUBSUEX-XMMPIXPASA-N
MW498.59 g/mol
LogP3.50
Rot. Bonds5

About 6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide

6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide (PubChem CID 129116262) has the molecular formula C25H37F3N4O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is 6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide
PubChem CID129116262
Molecular FormulaC25H37F3N4O3
Molecular Weight498.59 g/mol
Exact Mass498.28
IUPAC Name6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide
SMILESCc1nc(N2CCC(C3CCN(C(=O)[C@](O)(C(C)C)C(F)(F)F)CC3)CC2)ccc1C(=O)N(C)C
InChIInChI=1S/C25H37F3N4O3/c1-16(2)24(35,25(26,27)28)23(34)32-14-10-19(11-15-32)18-8-12-31(13-9-18)21-7-6-20(17(3)29-21)22(33)30(4)5/h6-7,16,18-19,35H,8-15H2,1-5H3/t24-/m1/s1
InChIKeyFUUWFFFDUBSUEX-XMMPIXPASA-N
XLogP3.50
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide (CID 129116262) is 6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide is Cc1nc(N2CCC(C3CCN(C(=O)[C@](O)(C(C)C)C(F)(F)F)CC3)CC2)ccc1C(=O)N(C)C.
What is the InChIKey of 6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide?
The InChIKey is FUUWFFFDUBSUEX-XMMPIXPASA-N. The full InChI is InChI=1S/C25H37F3N4O3/c1-16(2)24(35,25(26,27)28)23(34)32-14-10-19(11-15-32)18-8-12-31(13-9-18)21-7-6-20(17(3)29-21)22(33)30(4)5/h6-7,16,18-19,35H,8-15H2,1-5H3/t24-/m1/s1.
What are the key properties of 6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide?
6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide is sourced from PubChem (CID 129116262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).