[(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone

C17H25N3O2 — CID 100679012

IUPAC[(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1Cc1cccnc1)N1CCC[C@@H](O)C1
InChIInChI=1S/C17H25N3O2/c21-15-6-4-10-20(13-15)17(22)16-7-1-2-9-19(16)12-14-5-3-8-18-11-14/h3,5,8,11,15-16,21H,1-2,4,6-7,9-10,12-13H2/t15-,16+/m1/s1
InChIKeyIJNKKVZUYKEODW-CVEARBPZSA-N
MW303.41 g/mol
LogP1.42
Rot. Bonds3

About [(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone

[(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone (PubChem CID 100679012) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone
PubChem CID100679012
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1Cc1cccnc1)N1CCC[C@@H](O)C1
InChIInChI=1S/C17H25N3O2/c21-15-6-4-10-20(13-15)17(22)16-7-1-2-9-19(16)12-14-5-3-8-18-11-14/h3,5,8,11,15-16,21H,1-2,4,6-7,9-10,12-13H2/t15-,16+/m1/s1
InChIKeyIJNKKVZUYKEODW-CVEARBPZSA-N
XLogP1.42
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone with MolForge

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Related Compounds

(3-hydroxypiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone
CID 119032652
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
CID 77041710
[(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 97442781
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
(2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide
CID 95619721
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820
(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493710
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(2R)-1-benzylpiperidin-2-yl]methanone
CID 124781007
[(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100837164
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone?
The IUPAC name of [(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone (CID 100679012) is [(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone.
What is the SMILES notation for [(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone?
The canonical SMILES for [(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone is O=C([C@@H]1CCCCN1Cc1cccnc1)N1CCC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone?
The InChIKey is IJNKKVZUYKEODW-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-15-6-4-10-20(13-15)17(22)16-7-1-2-9-19(16)12-14-5-3-8-18-11-14/h3,5,8,11,15-16,21H,1-2,4,6-7,9-10,12-13H2/t15-,16+/m1/s1.
What are the key properties of [(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone?
[(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone has a molecular weight of 303.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone is sourced from PubChem (CID 100679012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).