N-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide

C11H21FN2O — CID 142520308

IUPACN-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide
SMILESCC[C@H](C)NC(=O)CC1(F)CCNCC1
InChIInChI=1S/C11H21FN2O/c1-3-9(2)14-10(15)8-11(12)4-6-13-7-5-11/h9,13H,3-8H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyYGQZMAZFUABHDV-VIFPVBQESA-N
MW216.30 g/mol
LogP1.38
Rot. Bonds4

About N-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide

N-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide (PubChem CID 142520308) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide
PubChem CID142520308
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC NameN-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide
SMILESCC[C@H](C)NC(=O)CC1(F)CCNCC1
InChIInChI=1S/C11H21FN2O/c1-3-9(2)14-10(15)8-11(12)4-6-13-7-5-11/h9,13H,3-8H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyYGQZMAZFUABHDV-VIFPVBQESA-N
XLogP1.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide (CID 142520308) is N-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide is CC[C@H](C)NC(=O)CC1(F)CCNCC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide?
The InChIKey is YGQZMAZFUABHDV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21FN2O/c1-3-9(2)14-10(15)8-11(12)4-6-13-7-5-11/h9,13H,3-8H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide?
N-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide has a molecular weight of 216.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide is sourced from PubChem (CID 142520308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).