N-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide

C12H23FN2O — CID 142520366

IUPACN-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide
SMILESCC[C@H](C)NC(=O)CC1(F)CCN(C)CC1
InChIInChI=1S/C12H23FN2O/c1-4-10(2)14-11(16)9-12(13)5-7-15(3)8-6-12/h10H,4-9H2,1-3H3,(H,14,16)/t10-/m0/s1
InChIKeyQVHVNAGMZXMBGL-JTQLQIEISA-N
MW230.33 g/mol
LogP1.73
Rot. Bonds4

About N-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide

N-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide (PubChem CID 142520366) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide
PubChem CID142520366
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC NameN-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide
SMILESCC[C@H](C)NC(=O)CC1(F)CCN(C)CC1
InChIInChI=1S/C12H23FN2O/c1-4-10(2)14-11(16)9-12(13)5-7-15(3)8-6-12/h10H,4-9H2,1-3H3,(H,14,16)/t10-/m0/s1
InChIKeyQVHVNAGMZXMBGL-JTQLQIEISA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide (CID 142520366) is N-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide is CC[C@H](C)NC(=O)CC1(F)CCN(C)CC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide?
The InChIKey is QVHVNAGMZXMBGL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23FN2O/c1-4-10(2)14-11(16)9-12(13)5-7-15(3)8-6-12/h10H,4-9H2,1-3H3,(H,14,16)/t10-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide?
N-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide has a molecular weight of 230.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 142520366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).