N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide

C14H26F2N2O2 — CID 119768421

IUPACN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide
SMILESCOCCN(CC(F)F)C(=O)CC(C)C1CCNCC1
InChIInChI=1S/C14H26F2N2O2/c1-11(12-3-5-17-6-4-12)9-14(19)18(7-8-20-2)10-13(15)16/h11-13,17H,3-10H2,1-2H3
InChIKeyCOSPYVVGFIDAFN-UHFFFAOYSA-N
MW292.37 g/mol
LogP1.75
Rot. Bonds8

About N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide

N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide (PubChem CID 119768421) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide
PubChem CID119768421
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC NameN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide
SMILESCOCCN(CC(F)F)C(=O)CC(C)C1CCNCC1
InChIInChI=1S/C14H26F2N2O2/c1-11(12-3-5-17-6-4-12)9-14(19)18(7-8-20-2)10-13(15)16/h11-13,17H,3-10H2,1-2H3
InChIKeyCOSPYVVGFIDAFN-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide (CID 119768421) is N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide is COCCN(CC(F)F)C(=O)CC(C)C1CCNCC1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide?
The InChIKey is COSPYVVGFIDAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O2/c1-11(12-3-5-17-6-4-12)9-14(19)18(7-8-20-2)10-13(15)16/h11-13,17H,3-10H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide?
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide has a molecular weight of 292.37 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119768421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).