3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one

C20H24N2O — CID 124971365

IUPAC3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC[C@@H](Cc2ccccn2)C1
InChIInChI=1S/C20H24N2O/c23-20(12-11-17-7-2-1-3-8-17)22-14-6-9-18(16-22)15-19-10-4-5-13-21-19/h1-5,7-8,10,13,18H,6,9,11-12,14-16H2/t18-/m0/s1
InChIKeyJWAIVVDGLDMEPC-SFHVURJKSA-N
MW308.43 g/mol
LogP3.50
Rot. Bonds5

About 3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one

3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 124971365) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID124971365
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC[C@@H](Cc2ccccn2)C1
InChIInChI=1S/C20H24N2O/c23-20(12-11-17-7-2-1-3-8-17)22-14-6-9-18(16-22)15-19-10-4-5-13-21-19/h1-5,7-8,10,13,18H,6,9,11-12,14-16H2/t18-/m0/s1
InChIKeyJWAIVVDGLDMEPC-SFHVURJKSA-N
XLogP3.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 95845204
3-methoxy-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110270825
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
1-[(6S)-4-benzyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 95815509
1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 124995445
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
1-[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 96581228
N-[2-oxo-2-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110271111
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
1-[(6R)-4-benzyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95813828
2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 127246352

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one (CID 124971365) is 3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCC[C@@H](Cc2ccccn2)C1.
What is the InChIKey of 3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is JWAIVVDGLDMEPC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O/c23-20(12-11-17-7-2-1-3-8-17)22-14-6-9-18(16-22)15-19-10-4-5-13-21-19/h1-5,7-8,10,13,18H,6,9,11-12,14-16H2/t18-/m0/s1.
What are the key properties of 3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one?
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 308.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124971365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).