4-(3-fluoro-4-methoxyphenyl)-N-methyl-N-piperidin-4-ylimidazole-1-carboxamide

C17H21FN4O2 — CID 66688408

IUPAC4-(3-fluoro-4-methoxyphenyl)-N-methyl-N-piperidin-4-ylimidazole-1-carboxamide
SMILESCOc1ccc(-c2cn(C(=O)N(C)C3CCNCC3)cn2)cc1F
InChIInChI=1S/C17H21FN4O2/c1-21(13-5-7-19-8-6-13)17(23)22-10-15(20-11-22)12-3-4-16(24-2)14(18)9-12/h3-4,9-11,13,19H,5-8H2,1-2H3
InChIKeyCNYRSCVFZAOSFZ-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.35
Rot. Bonds3

About 4-(3-fluoro-4-methoxyphenyl)-N-methyl-N-piperidin-4-ylimidazole-1-carboxamide

4-(3-fluoro-4-methoxyphenyl)-N-methyl-N-piperidin-4-ylimidazole-1-carboxamide (PubChem CID 66688408) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-N-methyl-N-piperidin-4-ylimidazole-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-N-methyl-N-piperidin-4-ylimidazole-1-carboxamide
PubChem CID66688408
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-N-methyl-N-piperidin-4-ylimidazole-1-carboxamide
SMILESCOc1ccc(-c2cn(C(=O)N(C)C3CCNCC3)cn2)cc1F
InChIInChI=1S/C17H21FN4O2/c1-21(13-5-7-19-8-6-13)17(23)22-10-15(20-11-22)12-3-4-16(24-2)14(18)9-12/h3-4,9-11,13,19H,5-8H2,1-2H3
InChIKeyCNYRSCVFZAOSFZ-UHFFFAOYSA-N
XLogP2.35
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-N-methyl-N-piperidin-4-ylimidazole-1-carboxamide?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-N-methyl-N-piperidin-4-ylimidazole-1-carboxamide (CID 66688408) is 4-(3-fluoro-4-methoxyphenyl)-N-methyl-N-piperidin-4-ylimidazole-1-carboxamide.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-N-methyl-N-piperidin-4-ylimidazole-1-carboxamide?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-N-methyl-N-piperidin-4-ylimidazole-1-carboxamide is COc1ccc(-c2cn(C(=O)N(C)C3CCNCC3)cn2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-N-methyl-N-piperidin-4-ylimidazole-1-carboxamide?
The InChIKey is CNYRSCVFZAOSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-21(13-5-7-19-8-6-13)17(23)22-10-15(20-11-22)12-3-4-16(24-2)14(18)9-12/h3-4,9-11,13,19H,5-8H2,1-2H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-N-methyl-N-piperidin-4-ylimidazole-1-carboxamide?
4-(3-fluoro-4-methoxyphenyl)-N-methyl-N-piperidin-4-ylimidazole-1-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-N-methyl-N-piperidin-4-ylimidazole-1-carboxamide is sourced from PubChem (CID 66688408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).