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

C14H26F2N2O2 — CID 154670178

IUPACN-[1-(2,2-difluoro-5-methoxypentyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(CC(F)(F)CCCOC)CC1
InChIInChI=1S/C14H26F2N2O2/c1-3-13(19)17-12-5-8-18(9-6-12)11-14(15,16)7-4-10-20-2/h12H,3-11H2,1-2H3,(H,17,19)
InChIKeyBEHDZKWHGXCQRK-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.04
Rot. Bonds8

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

N-[1-(2,2-difluoro-5-methoxypentyl)piperidin-4-yl]propanamide (PubChem CID 154670178) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is N-[1-(2,2-difluoro-5-methoxypentyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoro-5-methoxypentyl)piperidin-4-yl]propanamide
PubChem CID154670178
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC NameN-[1-(2,2-difluoro-5-methoxypentyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(CC(F)(F)CCCOC)CC1
InChIInChI=1S/C14H26F2N2O2/c1-3-13(19)17-12-5-8-18(9-6-12)11-14(15,16)7-4-10-20-2/h12H,3-11H2,1-2H3,(H,17,19)
InChIKeyBEHDZKWHGXCQRK-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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-methoxypentyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[1-(2,2-difluoro-5-methoxypentyl)piperidin-4-yl]propanamide (CID 154670178) is N-[1-(2,2-difluoro-5-methoxypentyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(2,2-difluoro-5-methoxypentyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(2,2-difluoro-5-methoxypentyl)piperidin-4-yl]propanamide is CCC(=O)NC1CCN(CC(F)(F)CCCOC)CC1.
What is the InChIKey of N-[1-(2,2-difluoro-5-methoxypentyl)piperidin-4-yl]propanamide?
The InChIKey is BEHDZKWHGXCQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O2/c1-3-13(19)17-12-5-8-18(9-6-12)11-14(15,16)7-4-10-20-2/h12H,3-11H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(2,2-difluoro-5-methoxypentyl)piperidin-4-yl]propanamide?
N-[1-(2,2-difluoro-5-methoxypentyl)piperidin-4-yl]propanamide has a molecular weight of 292.37 g/mol, XLogP of 2.04, 8 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-methoxypentyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 154670178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).