3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide

C11H21FN2O — CID 129349409

IUPAC3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CCC[C@](C)(F)C1
InChIInChI=1S/C11H21FN2O/c1-11(12)6-4-7-14(9-11)8-5-10(15)13(2)3/h4-9H2,1-3H3/t11-/m0/s1
InChIKeyZIJFQACCRSWCDW-NSHDSACASA-N
MW216.30 g/mol
LogP1.29
Rot. Bonds3

About 3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide

3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide (PubChem CID 129349409) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is 3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide
PubChem CID129349409
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CCC[C@](C)(F)C1
InChIInChI=1S/C11H21FN2O/c1-11(12)6-4-7-14(9-11)8-5-10(15)13(2)3/h4-9H2,1-3H3/t11-/m0/s1
InChIKeyZIJFQACCRSWCDW-NSHDSACASA-N
XLogP1.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide (CID 129349409) is 3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCN1CCC[C@](C)(F)C1.
What is the InChIKey of 3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is ZIJFQACCRSWCDW-NSHDSACASA-N. The full InChI is InChI=1S/C11H21FN2O/c1-11(12)6-4-7-14(9-11)8-5-10(15)13(2)3/h4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide?
3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 216.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 129349409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).