N-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide

C23H27FN4O3 — CID 43814453

IUPACN-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCC(n3c(C)nc4cc(F)ccc43)CC2)c1
InChIInChI=1S/C23H27FN4O3/c1-15-25-19-12-16(24)4-6-21(19)28(15)17-8-10-27(11-9-17)14-23(29)26-20-13-18(30-2)5-7-22(20)31-3/h4-7,12-13,17H,8-11,14H2,1-3H3,(H,26,29)
InChIKeyVUUUDDDVNVDLGK-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.78
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 43814453) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide
PubChem CID43814453
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCC(n3c(C)nc4cc(F)ccc43)CC2)c1
InChIInChI=1S/C23H27FN4O3/c1-15-25-19-12-16(24)4-6-21(19)28(15)17-8-10-27(11-9-17)14-23(29)26-20-13-18(30-2)5-7-22(20)31-3/h4-7,12-13,17H,8-11,14H2,1-3H3,(H,26,29)
InChIKeyVUUUDDDVNVDLGK-UHFFFAOYSA-N
XLogP3.78
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide
CID 1453138
2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 1462304
N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494656
N-(2,5-dimethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6469646
N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 1157477
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132785417
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;dihydrochloride
CID 56773506
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134267
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909624
N-(2,5-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919183

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide (CID 43814453) is N-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)CN2CCC(n3c(C)nc4cc(F)ccc43)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is VUUUDDDVNVDLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-15-25-19-12-16(24)4-6-21(19)28(15)17-8-10-27(11-9-17)14-23(29)26-20-13-18(30-2)5-7-22(20)31-3/h4-7,12-13,17H,8-11,14H2,1-3H3,(H,26,29).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 426.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 43814453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).