2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide

C25H28N4O — CID 92574491

IUPAC2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C25H28N4O/c30-24(18-20-6-2-1-3-7-20)28-25(23-8-4-5-13-27-23)22-11-16-29(17-12-22)19-21-9-14-26-15-10-21/h1-10,13-15,22,25H,11-12,16-19H2,(H,28,30)/t25-/m0/s1
InChIKeyVHUKIOAFRUQMCY-VWLOTQADSA-N
MW400.53 g/mol
LogP3.79
Rot. Bonds7

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

2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 92574491) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
PubChem CID92574491
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C25H28N4O/c30-24(18-20-6-2-1-3-7-20)28-25(23-8-4-5-13-27-23)22-11-16-29(17-12-22)19-21-9-14-26-15-10-21/h1-10,13-15,22,25H,11-12,16-19H2,(H,28,30)/t25-/m0/s1
InChIKeyVHUKIOAFRUQMCY-VWLOTQADSA-N
XLogP3.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 110228582
N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 92574484
2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574475
2-phenyl-N-[(R)-pyridin-2-yl-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574472
N-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 110228602
2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228631
2-cyclopentyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228643
N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 110228739
N-[(S)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 92577274
2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 92551988
N-[pyridin-2-yl-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 110226608
N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 92572787

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide (CID 92574491) is 2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide is O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is VHUKIOAFRUQMCY-VWLOTQADSA-N. The full InChI is InChI=1S/C25H28N4O/c30-24(18-20-6-2-1-3-7-20)28-25(23-8-4-5-13-27-23)22-11-16-29(17-12-22)19-21-9-14-26-15-10-21/h1-10,13-15,22,25H,11-12,16-19H2,(H,28,30)/t25-/m0/s1.
What are the key properties of 2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide?
2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 400.53 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 92574491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).