N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide

C32H38N4O3 — CID 12044079

About N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide

N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide (PubChem CID 12044079) has the molecular formula C32H38N4O3 and a molecular weight of 526.68 g/mol. Its IUPAC name is N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide.

Molecular Properties

• Compound Name: N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide
• PubChem CID: 12044079
• Molecular Formula: C32H38N4O3
• Molecular Weight: 526.68 g/mol
• Exact Mass: 526.29
• IUPAC Name: N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide
• SMILES: CCN(CC)C(=O)c1ccc(C(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2cccc(O)c2)cc1
• InChI: InChI=1S/C32H38N4O3/c1-3-35(4-2)31(38)24-14-12-23(13-15-24)28(25-8-7-9-27(37)22-25)18-21-34-19-16-26(17-20-34)36-30-11-6-5-10-29(30)33-32(36)39/h5-15,22,26,28,37H,3-4,16-21H2,1-2H3,(H,33,39)
• InChIKey: RWWWRIMYRLDWME-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 81.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.68
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide?

The IUPAC name of N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide (CID 12044079) is N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide.

What is the SMILES notation for N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide?

The canonical SMILES for N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide is CCN(CC)C(=O)c1ccc(C(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2cccc(O)c2)cc1.

What is the InChIKey of N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide?

The InChIKey is RWWWRIMYRLDWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O3/c1-3-35(4-2)31(38)24-14-12-23(13-15-24)28(25-8-7-9-27(37)22-25)18-21-34-19-16-26(17-20-34)36-30-11-6-5-10-29(30)33-32(36)39/h5-15,22,26,28,37H,3-4,16-21H2,1-2H3,(H,33,39).

What are the key properties of N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide?

N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide has a molecular weight of 526.68 g/mol, XLogP of 5.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 12044079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).