N-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C28H34N4O3 — CID 55882385

IUPACN-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2n1C1CCCCC1)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C28H34N4O3/c33-26(17-20-35-23-11-5-2-6-12-23)31-18-15-21(16-19-31)27(34)30-28-29-24-13-7-8-14-25(24)32(28)22-9-3-1-4-10-22/h2,5-8,11-14,21-22H,1,3-4,9-10,15-20H2,(H,29,30,34)
InChIKeyZUAFAVBHRCVHLS-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.19
Rot. Bonds7

About N-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 55882385) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID55882385
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC NameN-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2n1C1CCCCC1)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C28H34N4O3/c33-26(17-20-35-23-11-5-2-6-12-23)31-18-15-21(16-19-31)27(34)30-28-29-24-13-7-8-14-25(24)32(28)22-9-3-1-4-10-22/h2,5-8,11-14,21-22H,1,3-4,9-10,15-20H2,(H,29,30,34)
InChIKeyZUAFAVBHRCVHLS-UHFFFAOYSA-N
XLogP5.19
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-(3-cyclopentyloxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885368
1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 112844277
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55856174
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55882738
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55857604

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 55882385) is N-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is O=C(Nc1nc2ccccc2n1C1CCCCC1)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is ZUAFAVBHRCVHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c33-26(17-20-35-23-11-5-2-6-12-23)31-18-15-21(16-19-31)27(34)30-28-29-24-13-7-8-14-25(24)32(28)22-9-3-1-4-10-22/h2,5-8,11-14,21-22H,1,3-4,9-10,15-20H2,(H,29,30,34).
What are the key properties of N-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55882385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).