2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide

C21H25FN2O2 — CID 131937524

IUPAC2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide
SMILESO=C(NCc1ccc(CO)cc1)C(c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C21H25FN2O2/c22-19-10-8-18(9-11-19)20(24-12-2-1-3-13-24)21(26)23-14-16-4-6-17(15-25)7-5-16/h4-11,20,25H,1-3,12-15H2,(H,23,26)
InChIKeyGKQNMASKVATKST-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.16
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide

2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide (PubChem CID 131937524) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide
PubChem CID131937524
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide
SMILESO=C(NCc1ccc(CO)cc1)C(c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C21H25FN2O2/c22-19-10-8-18(9-11-19)20(24-12-2-1-3-13-24)21(26)23-14-16-4-6-17(15-25)7-5-16/h4-11,20,25H,1-3,12-15H2,(H,23,26)
InChIKeyGKQNMASKVATKST-UHFFFAOYSA-N
XLogP3.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 131924426
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide
CID 91832556
(2S)-2-(4-fluorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-piperidin-1-ylacetamide
CID 124728340
2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82114619
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
(2R)-2-(4-fluorophenyl)-2-piperidin-1-yl-N-(2-pyrazin-2-ylethyl)acetamide
CID 125166147
2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 46952067
[4-[di(piperidin-1-yl)methyl]phenyl]methanol
CID 76852408
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848634
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489
(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275580
2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 56509917

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide (CID 131937524) is 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide is O=C(NCc1ccc(CO)cc1)C(c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide?
The InChIKey is GKQNMASKVATKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-19-10-8-18(9-11-19)20(24-12-2-1-3-13-24)21(26)23-14-16-4-6-17(15-25)7-5-16/h4-11,20,25H,1-3,12-15H2,(H,23,26).
What are the key properties of 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide?
2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide has a molecular weight of 356.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 131937524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).