N-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide

C17H32F2N2O2 — CID 164715621

IUPACN-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)OCCCC(F)(F)CN1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C17H32F2N2O2/c1-13(2)16(22)20-15-6-9-21(10-7-15)12-17(18,19)8-5-11-23-14(3)4/h13-15H,5-12H2,1-4H3,(H,20,22)
InChIKeyLRVZPMMNVFKIML-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.06
Rot. Bonds9

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

N-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 164715621) has the molecular formula C17H32F2N2O2 and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide
PubChem CID164715621
Molecular FormulaC17H32F2N2O2
Molecular Weight334.45 g/mol
Exact Mass334.24
IUPAC NameN-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)OCCCC(F)(F)CN1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C17H32F2N2O2/c1-13(2)16(22)20-15-6-9-21(10-7-15)12-17(18,19)8-5-11-23-14(3)4/h13-15H,5-12H2,1-4H3,(H,20,22)
InChIKeyLRVZPMMNVFKIML-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.06
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-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide (CID 164715621) is N-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide is CC(C)OCCCC(F)(F)CN1CCC(NC(=O)C(C)C)CC1.
What is the InChIKey of N-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is LRVZPMMNVFKIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2N2O2/c1-13(2)16(22)20-15-6-9-21(10-7-15)12-17(18,19)8-5-11-23-14(3)4/h13-15H,5-12H2,1-4H3,(H,20,22).
What are the key properties of N-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide?
N-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 334.45 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 164715621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).