2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide

C18H32F3N3O — CID 124726575

IUPAC2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(NC(=O)CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1
InChIInChI=1S/C18H32F3N3O/c1-13(2)24-9-5-14(6-10-24)22-16(25)11-23-8-7-15(18(19,20)21)17(3,4)12-23/h13-15H,5-12H2,1-4H3,(H,22,25)/t15-/m1/s1
InChIKeyCCRPLLYLWWNIJH-OAHLLOKOSA-N
MW363.47 g/mol
LogP2.89
Rot. Bonds4

About 2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide

2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 124726575) has the molecular formula C18H32F3N3O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID124726575
Molecular FormulaC18H32F3N3O
Molecular Weight363.47 g/mol
Exact Mass363.25
IUPAC Name2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(NC(=O)CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1
InChIInChI=1S/C18H32F3N3O/c1-13(2)24-9-5-14(6-10-24)22-16(25)11-23-8-7-15(18(19,20)21)17(3,4)12-23/h13-15H,5-12H2,1-4H3,(H,22,25)/t15-/m1/s1
InChIKeyCCRPLLYLWWNIJH-OAHLLOKOSA-N
XLogP2.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide with MolForge

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Related Compounds

2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 124844909
2-(4-methylpiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 157336758
(4S)-3,3-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 99826231
2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 126787947
N-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide
CID 126769642
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044269
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 54593359
4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 79200680
3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60842653
N-cyclopropyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728808
N-(4,4-difluorocyclohexyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 171662917
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 43700529

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 124726575) is 2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide is CC(C)N1CCC(NC(=O)CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1.
What is the InChIKey of 2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is CCRPLLYLWWNIJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H32F3N3O/c1-13(2)24-9-5-14(6-10-24)22-16(25)11-23-8-7-15(18(19,20)21)17(3,4)12-23/h13-15H,5-12H2,1-4H3,(H,22,25)/t15-/m1/s1.
What are the key properties of 2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 363.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 124726575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).