N-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide

C17H32F2N2O — CID 170184807

IUPACN-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide
SMILESCC(C)CCN1CCC(C(F)(F)CN(C)C(=O)C(C)C)CC1
InChIInChI=1S/C17H32F2N2O/c1-13(2)6-9-21-10-7-15(8-11-21)17(18,19)12-20(5)16(22)14(3)4/h13-15H,6-12H2,1-5H3
InChIKeyORADJZWXLSZIRX-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.49
Rot. Bonds7

About N-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide

N-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide (PubChem CID 170184807) has the molecular formula C17H32F2N2O and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide
PubChem CID170184807
Molecular FormulaC17H32F2N2O
Molecular Weight318.45 g/mol
Exact Mass318.25
IUPAC NameN-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide
SMILESCC(C)CCN1CCC(C(F)(F)CN(C)C(=O)C(C)C)CC1
InChIInChI=1S/C17H32F2N2O/c1-13(2)6-9-21-10-7-15(8-11-21)17(18,19)12-20(5)16(22)14(3)4/h13-15H,6-12H2,1-5H3
InChIKeyORADJZWXLSZIRX-UHFFFAOYSA-N
XLogP3.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide (CID 170184807) is N-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide is CC(C)CCN1CCC(C(F)(F)CN(C)C(=O)C(C)C)CC1.
What is the InChIKey of N-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide?
The InChIKey is ORADJZWXLSZIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2N2O/c1-13(2)6-9-21-10-7-15(8-11-21)17(18,19)12-20(5)16(22)14(3)4/h13-15H,6-12H2,1-5H3.
What are the key properties of N-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide?
N-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide has a molecular weight of 318.45 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 170184807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).