1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide

C19H28N4O2 — CID 16669306

IUPAC1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide
SMILESCCn1c(N2CCC(C(=O)NCCCCO)CC2)nc2ccccc21
InChIInChI=1S/C19H28N4O2/c1-2-23-17-8-4-3-7-16(17)21-19(23)22-12-9-15(10-13-22)18(25)20-11-5-6-14-24/h3-4,7-8,15,24H,2,5-6,9-14H2,1H3,(H,20,25)
InChIKeyAOCAYFJQNVGDLB-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.16
Rot. Bonds7

About 1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide

1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide (PubChem CID 16669306) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide
PubChem CID16669306
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide
SMILESCCn1c(N2CCC(C(=O)NCCCCO)CC2)nc2ccccc21
InChIInChI=1S/C19H28N4O2/c1-2-23-17-8-4-3-7-16(17)21-19(23)22-12-9-15(10-13-22)18(25)20-11-5-6-14-24/h3-4,7-8,15,24H,2,5-6,9-14H2,1H3,(H,20,25)
InChIKeyAOCAYFJQNVGDLB-UHFFFAOYSA-N
XLogP2.16
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882877
N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46106595
N-(3-methoxypropyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675719
N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20883034
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 6620028
N-[3-[cyclohexyl(methyl)amino]propyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 53062510
1-(1-methylbenzimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 16675580
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20886844
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988943
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 20883058
1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 53062491
1-[1-(2-methoxyethyl)benzimidazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 42880181

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide (CID 16669306) is 1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide is CCn1c(N2CCC(C(=O)NCCCCO)CC2)nc2ccccc21.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide?
The InChIKey is AOCAYFJQNVGDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-2-23-17-8-4-3-7-16(17)21-19(23)22-12-9-15(10-13-22)18(25)20-11-5-6-14-24/h3-4,7-8,15,24H,2,5-6,9-14H2,1H3,(H,20,25).
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide?
1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide is sourced from PubChem (CID 16669306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).