N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide

C22H26F2N2O2 — CID 23324773

IUPACN-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide
SMILESCC(=O)N(OCc1ccccc1F)C1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C22H26F2N2O2/c1-17(27)26(28-16-19-7-3-5-9-22(19)24)20-11-14-25(15-12-20)13-10-18-6-2-4-8-21(18)23/h2-9,20H,10-16H2,1H3
InChIKeyKOYNNXBUSWWAPD-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.95
Rot. Bonds7

About N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide

N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide (PubChem CID 23324773) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide.

Molecular Properties

Compound NameN-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide
PubChem CID23324773
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC NameN-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide
SMILESCC(=O)N(OCc1ccccc1F)C1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C22H26F2N2O2/c1-17(27)26(28-16-19-7-3-5-9-22(19)24)20-11-14-25(15-12-20)13-10-18-6-2-4-8-21(18)23/h2-9,20H,10-16H2,1H3
InChIKeyKOYNNXBUSWWAPD-UHFFFAOYSA-N
XLogP3.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide?
The IUPAC name of N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide (CID 23324773) is N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide.
What is the SMILES notation for N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide?
The canonical SMILES for N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide is CC(=O)N(OCc1ccccc1F)C1CCN(CCc2ccccc2F)CC1.
What is the InChIKey of N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide?
The InChIKey is KOYNNXBUSWWAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-17(27)26(28-16-19-7-3-5-9-22(19)24)20-11-14-25(15-12-20)13-10-18-6-2-4-8-21(18)23/h2-9,20H,10-16H2,1H3.
What are the key properties of N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide?
N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide has a molecular weight of 388.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide is sourced from PubChem (CID 23324773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).