2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]acetamide

C14H24F2N2O3 — CID 97250162

IUPAC2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]acetamide
SMILESCOCCN1CCC[C@@H](NC(=O)C(F)(F)C2(O)CCC2)C1
InChIInChI=1S/C14H24F2N2O3/c1-21-9-8-18-7-2-4-11(10-18)17-12(19)14(15,16)13(20)5-3-6-13/h11,20H,2-10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyUAONZMFYGXVXRX-LLVKDONJSA-N
MW306.35 g/mol
LogP0.76
Rot. Bonds6

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

2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]acetamide (PubChem CID 97250162) has the molecular formula C14H24F2N2O3 and a molecular weight of 306.35 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]acetamide
PubChem CID97250162
Molecular FormulaC14H24F2N2O3
Molecular Weight306.35 g/mol
Exact Mass306.18
IUPAC Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]acetamide
SMILESCOCCN1CCC[C@@H](NC(=O)C(F)(F)C2(O)CCC2)C1
InChIInChI=1S/C14H24F2N2O3/c1-21-9-8-18-7-2-4-11(10-18)17-12(19)14(15,16)13(20)5-3-6-13/h11,20H,2-10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyUAONZMFYGXVXRX-LLVKDONJSA-N
XLogP0.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]acetamide?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]acetamide (CID 97250162) is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]acetamide is COCCN1CCC[C@@H](NC(=O)C(F)(F)C2(O)CCC2)C1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]acetamide?
The InChIKey is UAONZMFYGXVXRX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24F2N2O3/c1-21-9-8-18-7-2-4-11(10-18)17-12(19)14(15,16)13(20)5-3-6-13/h11,20H,2-10H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]acetamide?
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]acetamide has a molecular weight of 306.35 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 97250162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).