2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide

C25H28N4O4 — CID 129360797

IUPAC2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]c([C@@H]2CCCN(C(=O)c3ccccc3OC)C2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C25H28N4O4/c1-26-24(30)22-21(16-10-12-18(32-2)13-11-16)27-23(28-22)17-7-6-14-29(15-17)25(31)19-8-4-5-9-20(19)33-3/h4-5,8-13,17H,6-7,14-15H2,1-3H3,(H,26,30)(H,27,28)/t17-/m1/s1
InChIKeyRDBZNLAANHYAKU-QGZVFWFLSA-N
MW448.52 g/mol
LogP3.47
Rot. Bonds6

About 2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide

2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide (PubChem CID 129360797) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
PubChem CID129360797
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]c([C@@H]2CCCN(C(=O)c3ccccc3OC)C2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C25H28N4O4/c1-26-24(30)22-21(16-10-12-18(32-2)13-11-16)27-23(28-22)17-7-6-14-29(15-17)25(31)19-8-4-5-9-20(19)33-3/h4-5,8-13,17H,6-7,14-15H2,1-3H3,(H,26,30)(H,27,28)/t17-/m1/s1
InChIKeyRDBZNLAANHYAKU-QGZVFWFLSA-N
XLogP3.47
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 92620301
(2-methoxyphenyl)-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226059
2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 92619042
4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110092743
4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide
CID 155983105
4-(4-methoxyphenyl)-2-[1-(2-phenoxyacetyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110092729
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 110083315
[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 53137664
2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 92619049
(2-methoxyphenyl)-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 110237545
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 40973368

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide (CID 129360797) is 2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide is CNC(=O)c1[nH]c([C@@H]2CCCN(C(=O)c3ccccc3OC)C2)nc1-c1ccc(OC)cc1.
What is the InChIKey of 2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide?
The InChIKey is RDBZNLAANHYAKU-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-26-24(30)22-21(16-10-12-18(32-2)13-11-16)27-23(28-22)17-7-6-14-29(15-17)25(31)19-8-4-5-9-20(19)33-3/h4-5,8-13,17H,6-7,14-15H2,1-3H3,(H,26,30)(H,27,28)/t17-/m1/s1.
What are the key properties of 2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide?
2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 129360797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).