1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

C24H26N6O3 — CID 54671241

IUPAC1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2nccnc2OC2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)CC1
InChIInChI=1S/C24H26N6O3/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/h2-6,10-11,18H,7-9,12-15H2,1H3,(H,27,28)
InChIKeyLDXALMFESXDELH-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.67
Rot. Bonds4

About 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 54671241) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID54671241
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2nccnc2OC2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)CC1
InChIInChI=1S/C24H26N6O3/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/h2-6,10-11,18H,7-9,12-15H2,1H3,(H,27,28)
InChIKeyLDXALMFESXDELH-UHFFFAOYSA-N
XLogP2.67
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 58547884
1H-benzimidazol-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
CID 71724966
1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone
CID 54669924
1H-benzimidazol-2-yl-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]methanone
CID 54669925
1H-benzimidazol-2-yl-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone
CID 54669927
1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 54670017
4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one
CID 54670019
1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 54670107
1H-benzimidazol-2-yl-[(3R)-3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
CID 54670209
1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54671242
1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 54671243
1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54671332

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 54671241) is 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(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]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is LDXALMFESXDELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/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/h2-6,10-11,18H,7-9,12-15H2,1H3,(H,27,28).
What are the key properties of 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 446.51 g/mol, XLogP of 2.67, 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]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 54671241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).