[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone

C13H20N4O2 — CID 91834998

IUPAC[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1C[C@H](O)[C@@H](N2CCCCC2)C1
InChIInChI=1S/C13H20N4O2/c18-12-8-17(13(19)10-6-14-9-15-10)7-11(12)16-4-2-1-3-5-16/h6,9,11-12,18H,1-5,7-8H2,(H,14,15)/t11-,12-/m0/s1
InChIKeyRHYPKUJPFSIVGN-RYUDHWBXSA-N
MW264.33 g/mol
LogP0.08
Rot. Bonds2

About [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone

[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone (PubChem CID 91834998) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
PubChem CID91834998
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1C[C@H](O)[C@@H](N2CCCCC2)C1
InChIInChI=1S/C13H20N4O2/c18-12-8-17(13(19)10-6-14-9-15-10)7-11(12)16-4-2-1-3-5-16/h6,9,11-12,18H,1-5,7-8H2,(H,14,15)/t11-,12-/m0/s1
InChIKeyRHYPKUJPFSIVGN-RYUDHWBXSA-N
XLogP0.08
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone?
The IUPAC name of [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone (CID 91834998) is [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone.
What is the SMILES notation for [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone?
The canonical SMILES for [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone is O=C(c1cnc[nH]1)N1C[C@H](O)[C@@H](N2CCCCC2)C1.
What is the InChIKey of [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone?
The InChIKey is RHYPKUJPFSIVGN-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-12-8-17(13(19)10-6-14-9-15-10)7-11(12)16-4-2-1-3-5-16/h6,9,11-12,18H,1-5,7-8H2,(H,14,15)/t11-,12-/m0/s1.
What are the key properties of [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone?
[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 91834998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).