N-[(3S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]acetamide

C13H20F2N2O3 — CID 97098445

IUPACN-[(3S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)C(F)(F)C2(O)CCC2)C1
InChIInChI=1S/C13H20F2N2O3/c1-9(18)16-10-4-2-7-17(8-10)11(19)13(14,15)12(20)5-3-6-12/h10,20H,2-8H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyMJTKJBADSKRKPD-JTQLQIEISA-N
MW290.31 g/mol
LogP0.66
Rot. Bonds3

About N-[(3S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]acetamide

N-[(3S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]acetamide (PubChem CID 97098445) has the molecular formula C13H20F2N2O3 and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[(3S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]acetamide
PubChem CID97098445
Molecular FormulaC13H20F2N2O3
Molecular Weight290.31 g/mol
Exact Mass290.14
IUPAC NameN-[(3S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)C(F)(F)C2(O)CCC2)C1
InChIInChI=1S/C13H20F2N2O3/c1-9(18)16-10-4-2-7-17(8-10)11(19)13(14,15)12(20)5-3-6-12/h10,20H,2-8H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyMJTKJBADSKRKPD-JTQLQIEISA-N
XLogP0.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]acetamide (CID 97098445) is N-[(3S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(C(=O)C(F)(F)C2(O)CCC2)C1.
What is the InChIKey of N-[(3S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]acetamide?
The InChIKey is MJTKJBADSKRKPD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20F2N2O3/c1-9(18)16-10-4-2-7-17(8-10)11(19)13(14,15)12(20)5-3-6-12/h10,20H,2-8H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(3S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]acetamide?
N-[(3S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]acetamide has a molecular weight of 290.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 97098445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).