1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide

C22H26N4O2 — CID 6620261

IUPAC1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-2-28-18-9-7-16(8-10-18)15-23-21(27)17-11-13-26(14-12-17)22-24-19-5-3-4-6-20(19)25-22/h3-10,17H,2,11-15H2,1H3,(H,23,27)(H,24,25)
InChIKeyZUBIHSLHXRVGKD-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.49
Rot. Bonds6

About 1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide

1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 6620261) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID6620261
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-2-28-18-9-7-16(8-10-18)15-23-21(27)17-11-13-26(14-12-17)22-24-19-5-3-4-6-20(19)25-22/h3-10,17H,2,11-15H2,1H3,(H,23,27)(H,24,25)
InChIKeyZUBIHSLHXRVGKD-UHFFFAOYSA-N
XLogP3.49
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 4130439
(3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 30453509
1-(6-bromo-1H-benzimidazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46359079
(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 92876810
1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 46359077
1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 46359001
4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672579
1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide
CID 122176159
1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 46358989
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94693526
1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 20882807

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide (CID 6620261) is 1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide is CCOc1ccc(CNC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ZUBIHSLHXRVGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-28-18-9-7-16(8-10-18)15-23-21(27)17-11-13-26(14-12-17)22-24-19-5-3-4-6-20(19)25-22/h3-10,17H,2,11-15H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide?
1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 6620261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).