[1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C25H36N4O2 — CID 42880144

IUPAC[1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCN(c3nc4ccccc4n3C3CCCCC3)CC2)CC(C)O1
InChIInChI=1S/C25H36N4O2/c1-18-16-28(17-19(2)31-18)24(30)20-12-14-27(15-13-20)25-26-22-10-6-7-11-23(22)29(25)21-8-4-3-5-9-21/h6-7,10-11,18-21H,3-5,8-9,12-17H2,1-2H3
InChIKeyYPRHUNNDUXLULU-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.39
Rot. Bonds3

About [1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 42880144) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is [1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID42880144
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Name[1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCN(c3nc4ccccc4n3C3CCCCC3)CC2)CC(C)O1
InChIInChI=1S/C25H36N4O2/c1-18-16-28(17-19(2)31-18)24(30)20-12-14-27(15-13-20)25-26-22-10-6-7-11-23(22)29(25)21-8-4-3-5-9-21/h6-7,10-11,18-21H,3-5,8-9,12-17H2,1-2H3
InChIKeyYPRHUNNDUXLULU-UHFFFAOYSA-N
XLogP4.39
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-(1-cyclopentylbenzimidazol-2-yl)piperidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 93015112
[1-(1-cyclopentylbenzimidazol-2-yl)piperidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 46106644
ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 46106564
1-(1-cyclopentylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46106622
N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46106625
N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 46106770
(4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone
CID 20887019
cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone
CID 46375584
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 46375652
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413

Frequently Asked Questions

What is the IUPAC name of [1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 42880144) is [1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)C2CCN(c3nc4ccccc4n3C3CCCCC3)CC2)CC(C)O1.
What is the InChIKey of [1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is YPRHUNNDUXLULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-18-16-28(17-19(2)31-18)24(30)20-12-14-27(15-13-20)25-26-22-10-6-7-11-23(22)29(25)21-8-4-3-5-9-21/h6-7,10-11,18-21H,3-5,8-9,12-17H2,1-2H3.
What are the key properties of [1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 424.59 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 42880144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).