N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide

C13H20N4O2 — CID 91837902

IUPACN-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1cnc[nH]1
InChIInChI=1S/C13H20N4O2/c18-13(10-6-14-9-15-10)16-11-7-19-8-12(11)17-4-2-1-3-5-17/h6,9,11-12H,1-5,7-8H2,(H,14,15)(H,16,18)/t11-,12-/m0/s1
InChIKeyLTUOVJDGSZVKHP-RYUDHWBXSA-N
MW264.33 g/mol
LogP0.39
Rot. Bonds3

About N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide

N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide (PubChem CID 91837902) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide
PubChem CID91837902
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1cnc[nH]1
InChIInChI=1S/C13H20N4O2/c18-13(10-6-14-9-15-10)16-11-7-19-8-12(11)17-4-2-1-3-5-17/h6,9,11-12H,1-5,7-8H2,(H,14,15)(H,16,18)/t11-,12-/m0/s1
InChIKeyLTUOVJDGSZVKHP-RYUDHWBXSA-N
XLogP0.39
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide (CID 91837902) is N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide is O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1cnc[nH]1.
What is the InChIKey of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide?
The InChIKey is LTUOVJDGSZVKHP-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13(10-6-14-9-15-10)16-11-7-19-8-12(11)17-4-2-1-3-5-17/h6,9,11-12H,1-5,7-8H2,(H,14,15)(H,16,18)/t11-,12-/m0/s1.
What are the key properties of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide?
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 91837902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).