1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone

C24H28N6O3 — CID 54671242

IUPAC1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2OC2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)CC1
InChIInChI=1S/C24H28N6O3/c1-16(31)29-12-6-17(7-13-29)21-23(26-11-10-25-21)33-18-8-14-30(15-9-18)24(32)22-27-19-4-2-3-5-20(19)28-22/h2-5,10-11,17-18H,6-9,12-15H2,1H3,(H,27,28)
InChIKeyZDRYCZKKMLJHSO-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.76
Rot. Bonds4

About 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone

1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 54671242) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID54671242
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2OC2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)CC1
InChIInChI=1S/C24H28N6O3/c1-16(31)29-12-6-17(7-13-29)21-23(26-11-10-25-21)33-18-8-14-30(15-9-18)24(32)22-27-19-4-2-3-5-20(19)28-22/h2-5,10-11,17-18H,6-9,12-15H2,1H3,(H,27,28)
InChIKeyZDRYCZKKMLJHSO-UHFFFAOYSA-N
XLogP2.76
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone (CID 54671242) is 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nccnc2OC2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)CC1.
What is the InChIKey of 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is ZDRYCZKKMLJHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-16(31)29-12-6-17(7-13-29)21-23(26-11-10-25-21)33-18-8-14-30(15-9-18)24(32)22-27-19-4-2-3-5-20(19)28-22/h2-5,10-11,17-18H,6-9,12-15H2,1H3,(H,27,28).
What are the key properties of 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone?
1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 448.53 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 54671242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).