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

C21H24N4O2 — CID 648346

IUPAC4-(1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H24N4O2/c1-2-27-19-10-6-5-9-18(19)24-21(26)25-13-11-15(12-14-25)20-22-16-7-3-4-8-17(16)23-20/h3-10,15H,2,11-14H2,1H3,(H,22,23)(H,24,26)
InChIKeyAMNHGXPVFGIEQT-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.37
Rot. Bonds4

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

4-(1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide (PubChem CID 648346) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide
PubChem CID648346
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-(1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H24N4O2/c1-2-27-19-10-6-5-9-18(19)24-21(26)25-13-11-15(12-14-25)20-22-16-7-3-4-8-17(16)23-20/h3-10,15H,2,11-14H2,1H3,(H,22,23)(H,24,26)
InChIKeyAMNHGXPVFGIEQT-UHFFFAOYSA-N
XLogP4.37
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide (CID 648346) is 4-(1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is AMNHGXPVFGIEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-27-19-10-6-5-9-18(19)24-21(26)25-13-11-15(12-14-25)20-22-16-7-3-4-8-17(16)23-20/h3-10,15H,2,11-14H2,1H3,(H,22,23)(H,24,26).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide?
4-(1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 648346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).