N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

C21H24N4O3 — CID 5309355

IUPACN-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1
InChIInChI=1S/C21H24N4O3/c1-2-28-17-9-7-15(8-10-17)22-20(26)24-13-11-16(12-14-24)25-19-6-4-3-5-18(19)23-21(25)27/h3-10,16H,2,11-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyOEQBJXDMGVSDPW-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.60
Rot. Bonds4

About N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (PubChem CID 5309355) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
PubChem CID5309355
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1
InChIInChI=1S/C21H24N4O3/c1-2-28-17-9-7-15(8-10-17)22-20(26)24-13-11-16(12-14-24)25-19-6-4-3-5-18(19)23-21(25)27/h3-10,16H,2,11-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyOEQBJXDMGVSDPW-UHFFFAOYSA-N
XLogP3.60
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Oxiperomide
CID 68634
1-Piperidinecarboxamide, N-(4-methoxyphenyl)-
CID 200753
1-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-1H-benzo[d]imidazol-2(3H)-one
CID 23369416
Benzimidazolone scaffold, 15f
CID 23369421
1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-1H-benzo[d]imidazol-2(3H)-one
CID 23369450
1-(4-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25014697
5-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazole-2-thione
CID 9843062
1-(1-(3-(4-fluorophenoxy)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 44204999
1-(4-Phenoxyphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783004
1-((S)-1-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperidin-3-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 138621427
Acetamide, N-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-
CID 3033717
1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)-
CID 654114

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (CID 5309355) is N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The InChIKey is OEQBJXDMGVSDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-2-28-17-9-7-15(8-10-17)22-20(26)24-13-11-16(12-14-24)25-19-6-4-3-5-18(19)23-21(25)27/h3-10,16H,2,11-14H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 5309355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).