4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide

C20H26N4O4 — CID 110092743

IUPAC4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
SMILESCOCCC(=O)N1CCCC(c2nc(-c3ccc(OC)cc3)c(C(N)=O)[nH]2)C1
InChIInChI=1S/C20H26N4O4/c1-27-11-9-16(25)24-10-3-4-14(12-24)20-22-17(18(23-20)19(21)26)13-5-7-15(28-2)8-6-13/h5-8,14H,3-4,9-12H2,1-2H3,(H2,21,26)(H,22,23)
InChIKeyTYQYSYOHOBHJFX-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.93
Rot. Bonds7

About 4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide

4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide (PubChem CID 110092743) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
PubChem CID110092743
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
SMILESCOCCC(=O)N1CCCC(c2nc(-c3ccc(OC)cc3)c(C(N)=O)[nH]2)C1
InChIInChI=1S/C20H26N4O4/c1-27-11-9-16(25)24-10-3-4-14(12-24)20-22-17(18(23-20)19(21)26)13-5-7-15(28-2)8-6-13/h5-8,14H,3-4,9-12H2,1-2H3,(H2,21,26)(H,22,23)
InChIKeyTYQYSYOHOBHJFX-UHFFFAOYSA-N
XLogP1.93
TPSA110.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-2-[1-(2-phenoxyacetyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110092729
4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110092754
4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110259820
2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide
CID 92620291
2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 129360797
3-methoxy-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 70716586
1-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110255005
3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 92610992
2-[(3R)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide
CID 92620322
2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 110092686
2-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881616
1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one
CID 92610986

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide (CID 110092743) is 4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide is COCCC(=O)N1CCCC(c2nc(-c3ccc(OC)cc3)c(C(N)=O)[nH]2)C1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide?
The InChIKey is TYQYSYOHOBHJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-27-11-9-16(25)24-10-3-4-14(12-24)20-22-17(18(23-20)19(21)26)13-5-7-15(28-2)8-6-13/h5-8,14H,3-4,9-12H2,1-2H3,(H2,21,26)(H,22,23).
What are the key properties of 4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide?
4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110092743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).