2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide

C22H27FN2O3 — CID 16672796

IUPAC2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide
SMILESCOc1cccc(C2(O)CCN(CCNC(=O)Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H27FN2O3/c1-28-20-4-2-3-18(16-20)22(27)9-12-25(13-10-22)14-11-24-21(26)15-17-5-7-19(23)8-6-17/h2-8,16,27H,9-15H2,1H3,(H,24,26)
InChIKeyVJUJBRNNSRUXHU-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.48
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide

2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide (PubChem CID 16672796) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide
PubChem CID16672796
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide
SMILESCOc1cccc(C2(O)CCN(CCNC(=O)Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H27FN2O3/c1-28-20-4-2-3-18(16-20)22(27)9-12-25(13-10-22)14-11-24-21(26)15-17-5-7-19(23)8-6-17/h2-8,16,27H,9-15H2,1H3,(H,24,26)
InChIKeyVJUJBRNNSRUXHU-UHFFFAOYSA-N
XLogP2.48
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide (CID 16672796) is 2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide is COc1cccc(C2(O)CCN(CCNC(=O)Cc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide?
The InChIKey is VJUJBRNNSRUXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-28-20-4-2-3-18(16-20)22(27)9-12-25(13-10-22)14-11-24-21(26)15-17-5-7-19(23)8-6-17/h2-8,16,27H,9-15H2,1H3,(H,24,26).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide has a molecular weight of 386.47 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 16672796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).