N-[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]-N,2-dimethylpropanamide

C16H31FN2O — CID 170184764

IUPACN-[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)[C@H]1CCN(CCC(C)(C)C)C[C@H]1F
InChIInChI=1S/C16H31FN2O/c1-12(2)15(20)18(6)14-7-9-19(11-13(14)17)10-8-16(3,4)5/h12-14H,7-11H2,1-6H3/t13-,14+/m1/s1
InChIKeyVCSNSDPNDAYEFD-KGLIPLIRSA-N
MW286.43 g/mol
LogP2.95
Rot. Bonds4

About N-[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]-N,2-dimethylpropanamide

N-[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]-N,2-dimethylpropanamide (PubChem CID 170184764) has the molecular formula C16H31FN2O and a molecular weight of 286.43 g/mol. Its IUPAC name is N-[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]-N,2-dimethylpropanamide
PubChem CID170184764
Molecular FormulaC16H31FN2O
Molecular Weight286.43 g/mol
Exact Mass286.24
IUPAC NameN-[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)[C@H]1CCN(CCC(C)(C)C)C[C@H]1F
InChIInChI=1S/C16H31FN2O/c1-12(2)15(20)18(6)14-7-9-19(11-13(14)17)10-8-16(3,4)5/h12-14H,7-11H2,1-6H3/t13-,14+/m1/s1
InChIKeyVCSNSDPNDAYEFD-KGLIPLIRSA-N
XLogP2.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]-N,2-dimethylpropanamide?
The IUPAC name of N-[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]-N,2-dimethylpropanamide (CID 170184764) is N-[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)[C@H]1CCN(CCC(C)(C)C)C[C@H]1F.
What is the InChIKey of N-[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]-N,2-dimethylpropanamide?
The InChIKey is VCSNSDPNDAYEFD-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H31FN2O/c1-12(2)15(20)18(6)14-7-9-19(11-13(14)17)10-8-16(3,4)5/h12-14H,7-11H2,1-6H3/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]-N,2-dimethylpropanamide?
N-[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]-N,2-dimethylpropanamide has a molecular weight of 286.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 170184764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).