N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide

C20H28N4O3 — CID 90494656

IUPACN-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCC(Cn3ccnc3C)CC2)c1
InChIInChI=1S/C20H28N4O3/c1-15-21-8-11-24(15)13-16-6-9-23(10-7-16)14-20(25)22-18-12-17(26-2)4-5-19(18)27-3/h4-5,8,11-12,16H,6-7,9-10,13-14H2,1-3H3,(H,22,25)
InChIKeyARMNHWGBMOMPDO-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.56
Rot. Bonds7

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

N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 90494656) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
PubChem CID90494656
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCC(Cn3ccnc3C)CC2)c1
InChIInChI=1S/C20H28N4O3/c1-15-21-8-11-24(15)13-16-6-9-23(10-7-16)14-20(25)22-18-12-17(26-2)4-5-19(18)27-3/h4-5,8,11-12,16H,6-7,9-10,13-14H2,1-3H3,(H,22,25)
InChIKeyARMNHWGBMOMPDO-UHFFFAOYSA-N
XLogP2.56
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494653
N-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90561242
N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781145
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
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
2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2573036
N-(2,5-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919183
N-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide
CID 43814453
2-(4-benzylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2464605

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide (CID 90494656) is N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)CN2CCC(Cn3ccnc3C)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is ARMNHWGBMOMPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15-21-8-11-24(15)13-16-6-9-23(10-7-16)14-20(25)22-18-12-17(26-2)4-5-19(18)27-3/h4-5,8,11-12,16H,6-7,9-10,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 2.56, 7 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-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90494656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).