2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide

C28H31FN2O3 — CID 72704958

IUPAC2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccccc1OCC(O)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H31FN2O3/c29-25-11-5-6-12-26(25)30-28(33)24-10-4-7-13-27(24)34-20-23(32)19-31-16-14-22(15-17-31)18-21-8-2-1-3-9-21/h1-13,22-23,32H,14-20H2,(H,30,33)
InChIKeyQNZCHRNDTVPKSL-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.77
Rot. Bonds9

About 2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide

2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide (PubChem CID 72704958) has the molecular formula C28H31FN2O3 and a molecular weight of 462.57 g/mol. Its IUPAC name is 2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide
PubChem CID72704958
Molecular FormulaC28H31FN2O3
Molecular Weight462.57 g/mol
Exact Mass462.23
IUPAC Name2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccccc1OCC(O)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H31FN2O3/c29-25-11-5-6-12-26(25)30-28(33)24-10-4-7-13-27(24)34-20-23(32)19-31-16-14-22(15-17-31)18-21-8-2-1-3-9-21/h1-13,22-23,32H,14-20H2,(H,30,33)
InChIKeyQNZCHRNDTVPKSL-UHFFFAOYSA-N
XLogP4.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2R)-3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 73351214
1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 18807405
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
methyl 4-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]benzoate chloride
CID 46863809
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 780314
1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 57400740
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 40786891
1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 45126222
N-(2-fluorophenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26115053
1-[2-[3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 138959623
methyl 2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzoate
CID 10135790
1-[2-[(2R)-3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
CID 73355762

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide?
The IUPAC name of 2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide (CID 72704958) is 2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide.
What is the SMILES notation for 2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide?
The canonical SMILES for 2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide is O=C(Nc1ccccc1F)c1ccccc1OCC(O)CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide?
The InChIKey is QNZCHRNDTVPKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O3/c29-25-11-5-6-12-26(25)30-28(33)24-10-4-7-13-27(24)34-20-23(32)19-31-16-14-22(15-17-31)18-21-8-2-1-3-9-21/h1-13,22-23,32H,14-20H2,(H,30,33).
What are the key properties of 2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide?
2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide has a molecular weight of 462.57 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide is sourced from PubChem (CID 72704958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).