N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide

C15H28F2N2O2 — CID 154671310

IUPACN-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide
SMILESCOCCCCCN1CCC(NC(=O)C(C)C)C(F)(F)C1
InChIInChI=1S/C15H28F2N2O2/c1-12(2)14(20)18-13-7-9-19(11-15(13,16)17)8-5-4-6-10-21-3/h12-13H,4-11H2,1-3H3,(H,18,20)
InChIKeyQZKSUBPFWKNMMR-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.28
Rot. Bonds8

About N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide

N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 154671310) has the molecular formula C15H28F2N2O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide
PubChem CID154671310
Molecular FormulaC15H28F2N2O2
Molecular Weight306.40 g/mol
Exact Mass306.21
IUPAC NameN-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide
SMILESCOCCCCCN1CCC(NC(=O)C(C)C)C(F)(F)C1
InChIInChI=1S/C15H28F2N2O2/c1-12(2)14(20)18-13-7-9-19(11-15(13,16)17)8-5-4-6-10-21-3/h12-13H,4-11H2,1-3H3,(H,18,20)
InChIKeyQZKSUBPFWKNMMR-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide (CID 154671310) is N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide is COCCCCCN1CCC(NC(=O)C(C)C)C(F)(F)C1.
What is the InChIKey of N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is QZKSUBPFWKNMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O2/c1-12(2)14(20)18-13-7-9-19(11-15(13,16)17)8-5-4-6-10-21-3/h12-13H,4-11H2,1-3H3,(H,18,20).
What are the key properties of N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide?
N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 306.40 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 154671310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).