3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide

C23H29FN2O2 — CID 53464522

IUPAC3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCCC(CNC(=O)c2cccc(C(O)c3ccc(F)cc3)c2)C1
InChIInChI=1S/C23H29FN2O2/c1-16(2)26-12-4-5-17(15-26)14-25-23(28)20-7-3-6-19(13-20)22(27)18-8-10-21(24)11-9-18/h3,6-11,13,16-17,22,27H,4-5,12,14-15H2,1-2H3,(H,25,28)
InChIKeyGLDNJXCENIZTKK-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.76
Rot. Bonds6

About 3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide

3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide (PubChem CID 53464522) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
PubChem CID53464522
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCCC(CNC(=O)c2cccc(C(O)c3ccc(F)cc3)c2)C1
InChIInChI=1S/C23H29FN2O2/c1-16(2)26-12-4-5-17(15-26)14-25-23(28)20-7-3-6-19(13-20)22(27)18-8-10-21(24)11-9-18/h3,6-11,13,16-17,22,27H,4-5,12,14-15H2,1-2H3,(H,25,28)
InChIKeyGLDNJXCENIZTKK-UHFFFAOYSA-N
XLogP3.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide?
The IUPAC name of 3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide (CID 53464522) is 3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide is CC(C)N1CCCC(CNC(=O)c2cccc(C(O)c3ccc(F)cc3)c2)C1.
What is the InChIKey of 3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide?
The InChIKey is GLDNJXCENIZTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-16(2)26-12-4-5-17(15-26)14-25-23(28)20-7-3-6-19(13-20)22(27)18-8-10-21(24)11-9-18/h3,6-11,13,16-17,22,27H,4-5,12,14-15H2,1-2H3,(H,25,28).
What are the key properties of 3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide?
3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide has a molecular weight of 384.50 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 53464522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).