N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide

C26H28FN3O — CID 92574484

IUPACN-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C26H28FN3O/c27-23-11-9-21(10-12-23)19-30-16-13-22(14-17-30)26(24-8-4-5-15-28-24)29-25(31)18-20-6-2-1-3-7-20/h1-12,15,22,26H,13-14,16-19H2,(H,29,31)/t26-/m0/s1
InChIKeyYGSPJKBUGCSNDZ-SANMLTNESA-N
MW417.53 g/mol
LogP4.53
Rot. Bonds7

About N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide

N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide (PubChem CID 92574484) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
PubChem CID92574484
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC NameN-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C26H28FN3O/c27-23-11-9-21(10-12-23)19-30-16-13-22(14-17-30)26(24-8-4-5-15-28-24)29-25(31)18-20-6-2-1-3-7-20/h1-12,15,22,26H,13-14,16-19H2,(H,29,31)/t26-/m0/s1
InChIKeyYGSPJKBUGCSNDZ-SANMLTNESA-N
XLogP4.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 92574491
2-phenyl-N-[pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 110228582
N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 92574646
N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 110229251
N-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 110228602
2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574475
2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228631
N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110226600
2-cyclopentyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228643
2-phenyl-N-[(R)-pyridin-2-yl-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574472
N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 92572787
2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228657

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide?
The IUPAC name of N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide (CID 92574484) is N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide.
What is the SMILES notation for N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide?
The canonical SMILES for N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide is O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide?
The InChIKey is YGSPJKBUGCSNDZ-SANMLTNESA-N. The full InChI is InChI=1S/C26H28FN3O/c27-23-11-9-21(10-12-23)19-30-16-13-22(14-17-30)26(24-8-4-5-15-28-24)29-25(31)18-20-6-2-1-3-7-20/h1-12,15,22,26H,13-14,16-19H2,(H,29,31)/t26-/m0/s1.
What are the key properties of N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide?
N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide has a molecular weight of 417.53 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide is sourced from PubChem (CID 92574484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).