ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate

C26H37N5O3 — CID 46106564

IUPACethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(c3nc4ccccc4n3C3CCCCC3)CC2)CC1
InChIInChI=1S/C26H37N5O3/c1-2-34-26(33)30-18-16-28(17-19-30)24(32)20-12-14-29(15-13-20)25-27-22-10-6-7-11-23(22)31(25)21-8-4-3-5-9-21/h6-7,10-11,20-21H,2-5,8-9,12-19H2,1H3
InChIKeyVMGKZQWUMSFATB-UHFFFAOYSA-N
MW467.61 g/mol
LogP4.06
Rot. Bonds4

About ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate

ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate (PubChem CID 46106564) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
PubChem CID46106564
Molecular FormulaC26H37N5O3
Molecular Weight467.61 g/mol
Exact Mass467.29
IUPAC Nameethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(c3nc4ccccc4n3C3CCCCC3)CC2)CC1
InChIInChI=1S/C26H37N5O3/c1-2-34-26(33)30-18-16-28(17-19-30)24(32)20-12-14-29(15-13-20)25-27-22-10-6-7-11-23(22)31(25)21-8-4-3-5-9-21/h6-7,10-11,20-21H,2-5,8-9,12-19H2,1H3
InChIKeyVMGKZQWUMSFATB-UHFFFAOYSA-N
XLogP4.06
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate with MolForge

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Related Compounds

[1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42880144
cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone
CID 46375584
(4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone
CID 20887019
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
[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 46375652
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
[(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 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate
CID 67034175
ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 121118763

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate (CID 46106564) is ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCN(c3nc4ccccc4n3C3CCCCC3)CC2)CC1.
What is the InChIKey of ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is VMGKZQWUMSFATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O3/c1-2-34-26(33)30-18-16-28(17-19-30)24(32)20-12-14-29(15-13-20)25-27-22-10-6-7-11-23(22)31(25)21-8-4-3-5-9-21/h6-7,10-11,20-21H,2-5,8-9,12-19H2,1H3.
What are the key properties of ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 467.61 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 46106564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).