N-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide

C12H20F2N2O2 — CID 134515026

IUPACN-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCCN1CCC(NC(=O)C2CC(F)(F)C2)C(O)C1
InChIInChI=1S/C12H20F2N2O2/c1-2-16-4-3-9(10(17)7-16)15-11(18)8-5-12(13,14)6-8/h8-10,17H,2-7H2,1H3,(H,15,18)
InChIKeyOLMLANMKZFLEEU-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.60
Rot. Bonds3

About N-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide

N-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 134515026) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is N-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide
PubChem CID134515026
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC NameN-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCCN1CCC(NC(=O)C2CC(F)(F)C2)C(O)C1
InChIInChI=1S/C12H20F2N2O2/c1-2-16-4-3-9(10(17)7-16)15-11(18)8-5-12(13,14)6-8/h8-10,17H,2-7H2,1H3,(H,15,18)
InChIKeyOLMLANMKZFLEEU-UHFFFAOYSA-N
XLogP0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide (CID 134515026) is N-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide is CCN1CCC(NC(=O)C2CC(F)(F)C2)C(O)C1.
What is the InChIKey of N-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is OLMLANMKZFLEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c1-2-16-4-3-9(10(17)7-16)15-11(18)8-5-12(13,14)6-8/h8-10,17H,2-7H2,1H3,(H,15,18).
What are the key properties of N-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide?
N-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 262.30 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-hydroxypiperidin-4-yl)-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 134515026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).