3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide

C13H22F2N2O2 — CID 134435308

IUPAC3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2CC(F)(F)C2)C(O)C1
InChIInChI=1S/C13H22F2N2O2/c1-8(2)17-4-3-10(11(18)7-17)16-12(19)9-5-13(14,15)6-9/h8-11,18H,3-7H2,1-2H3,(H,16,19)
InChIKeySVBGOCVUURPZLN-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.99
Rot. Bonds3

About 3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide

3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide (PubChem CID 134435308) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide
PubChem CID134435308
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2CC(F)(F)C2)C(O)C1
InChIInChI=1S/C13H22F2N2O2/c1-8(2)17-4-3-10(11(18)7-17)16-12(19)9-5-13(14,15)6-9/h8-11,18H,3-7H2,1-2H3,(H,16,19)
InChIKeySVBGOCVUURPZLN-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide (CID 134435308) is 3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide is CC(C)N1CCC(NC(=O)C2CC(F)(F)C2)C(O)C1.
What is the InChIKey of 3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide?
The InChIKey is SVBGOCVUURPZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c1-8(2)17-4-3-10(11(18)7-17)16-12(19)9-5-13(14,15)6-9/h8-11,18H,3-7H2,1-2H3,(H,16,19).
What are the key properties of 3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide?
3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide has a molecular weight of 276.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 134435308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).