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

C23H29FN2O2 — CID 164851908

IUPACN-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)N(Cc1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H29FN2O2/c1-28-18-23(27)26(17-20-7-9-21(24)10-8-20)22-12-15-25(16-13-22)14-11-19-5-3-2-4-6-19/h2-10,22H,11-18H2,1H3
InChIKeyLLTSRXXFKBIVDH-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.51
Rot. Bonds8

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

N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (PubChem CID 164851908) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
PubChem CID164851908
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)N(Cc1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H29FN2O2/c1-28-18-23(27)26(17-20-7-9-21(24)10-8-20)22-12-15-25(16-13-22)14-11-19-5-3-2-4-6-19/h2-10,22H,11-18H2,1H3
InChIKeyLLTSRXXFKBIVDH-UHFFFAOYSA-N
XLogP3.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (CID 164851908) is N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is COCC(=O)N(Cc1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The InChIKey is LLTSRXXFKBIVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-28-18-23(27)26(17-20-7-9-21(24)10-8-20)22-12-15-25(16-13-22)14-11-19-5-3-2-4-6-19/h2-10,22H,11-18H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide has a molecular weight of 384.50 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 164851908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).