N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide

C24H30N4O3 — CID 1453138

IUPACN-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCC(c3nc4cc(C)c(C)cc4[nH]3)CC2)c1
InChIInChI=1S/C24H30N4O3/c1-15-11-19-20(12-16(15)2)27-24(26-19)17-7-9-28(10-8-17)14-23(29)25-21-13-18(30-3)5-6-22(21)31-4/h5-6,11-13,17H,7-10,14H2,1-4H3,(H,25,29)(H,26,27)
InChIKeyFLVKEJXXQXBBRD-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.02
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 1453138) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide
PubChem CID1453138
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCC(c3nc4cc(C)c(C)cc4[nH]3)CC2)c1
InChIInChI=1S/C24H30N4O3/c1-15-11-19-20(12-16(15)2)27-24(26-19)17-7-9-28(10-8-17)14-23(29)25-21-13-18(30-3)5-6-22(21)31-4/h5-6,11-13,17H,7-10,14H2,1-4H3,(H,25,29)(H,26,27)
InChIKeyFLVKEJXXQXBBRD-UHFFFAOYSA-N
XLogP4.02
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide
CID 1453158
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43815822
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide
CID 1429729
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132785417
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;dihydrochloride
CID 56773506
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3223449
N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494656
N-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide
CID 43814453
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134267
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 1453163
N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36897882

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide (CID 1453138) is N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)CN2CCC(c3nc4cc(C)c(C)cc4[nH]3)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is FLVKEJXXQXBBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-15-11-19-20(12-16(15)2)27-24(26-19)17-7-9-28(10-8-17)14-23(29)25-21-13-18(30-3)5-6-22(21)31-4/h5-6,11-13,17H,7-10,14H2,1-4H3,(H,25,29)(H,26,27).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 1453138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).