2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide

C25H28N4O — CID 92574475

IUPAC2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccncc2)C1
InChIInChI=1S/C25H28N4O/c30-24(17-20-7-2-1-3-8-20)28-25(23-10-4-5-13-27-23)22-9-6-16-29(19-22)18-21-11-14-26-15-12-21/h1-5,7-8,10-15,22,25H,6,9,16-19H2,(H,28,30)/t22-,25-/m0/s1
InChIKeyIKGONPDUUWLZKG-DHLKQENFSA-N
MW400.53 g/mol
LogP3.79
Rot. Bonds7

About 2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide

2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide (PubChem CID 92574475) 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-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide
PubChem CID92574475
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccncc2)C1
InChIInChI=1S/C25H28N4O/c30-24(17-20-7-2-1-3-8-20)28-25(23-10-4-5-13-27-23)22-9-6-16-29(19-22)18-21-11-14-26-15-12-21/h1-5,7-8,10-15,22,25H,6,9,16-19H2,(H,28,30)/t22-,25-/m0/s1
InChIKeyIKGONPDUUWLZKG-DHLKQENFSA-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-[(R)-pyridin-2-yl-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574472
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
2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 92551988
N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 110228739
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
2-methoxy-N-[(S)-[(3S)-1-[(4-phenylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92610896
N-[(S)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 95795528
N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 92574484
N-[(S)-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide
CID 92579029
N-[(R)-[(3S)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551929

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide (CID 92574475) is 2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide is O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccncc2)C1.
What is the InChIKey of 2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is IKGONPDUUWLZKG-DHLKQENFSA-N. The full InChI is InChI=1S/C25H28N4O/c30-24(17-20-7-2-1-3-8-20)28-25(23-10-4-5-13-27-23)22-9-6-16-29(19-22)18-21-11-14-26-15-12-21/h1-5,7-8,10-15,22,25H,6,9,16-19H2,(H,28,30)/t22-,25-/m0/s1.
What are the key properties of 2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide?
2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-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-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 92574475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).