N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C24H28N4O4 — CID 55912812

IUPACN-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C24H28N4O4/c1-16(18-7-8-20-21(15-18)27-24(31)26-20)25-23(30)17-9-12-28(13-10-17)22(29)11-14-32-19-5-3-2-4-6-19/h2-8,15-17H,9-14H2,1H3,(H,25,30)(H2,26,27,31)
InChIKeyHZNDRZHJKCGSEQ-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.74
Rot. Bonds7

About N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 55912812) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID55912812
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C24H28N4O4/c1-16(18-7-8-20-21(15-18)27-24(31)26-20)25-23(30)17-9-12-28(13-10-17)22(29)11-14-32-19-5-3-2-4-6-19/h2-8,15-17H,9-14H2,1H3,(H,25,30)(H2,26,27,31)
InChIKeyHZNDRZHJKCGSEQ-UHFFFAOYSA-N
XLogP2.74
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55875019
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride
CID 119617668
(E)-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]hex-4-enoic acid
CID 120693343
N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119995540
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885634
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78904763
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate
CID 55878992
N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55882738
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 55912812) is N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is HZNDRZHJKCGSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-16(18-7-8-20-21(15-18)27-24(31)26-20)25-23(30)17-9-12-28(13-10-17)22(29)11-14-32-19-5-3-2-4-6-19/h2-8,15-17H,9-14H2,1H3,(H,25,30)(H2,26,27,31).
What are the key properties of N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55912812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).