N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide

C18H22N4O3 — CID 66682485

IUPACN-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide
SMILESCC(=O)N1CCC(N(C)C(=O)n2cnc(-c3ccc(O)cc3)c2)CC1
InChIInChI=1S/C18H22N4O3/c1-13(23)21-9-7-15(8-10-21)20(2)18(25)22-11-17(19-12-22)14-3-5-16(24)6-4-14/h3-6,11-12,15,24H,7-10H2,1-2H3
InChIKeyFHCXRIPVKHARHO-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.17
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide

N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide (PubChem CID 66682485) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide
PubChem CID66682485
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide
SMILESCC(=O)N1CCC(N(C)C(=O)n2cnc(-c3ccc(O)cc3)c2)CC1
InChIInChI=1S/C18H22N4O3/c1-13(23)21-9-7-15(8-10-21)20(2)18(25)22-11-17(19-12-22)14-3-5-16(24)6-4-14/h3-6,11-12,15,24H,7-10H2,1-2H3
InChIKeyFHCXRIPVKHARHO-UHFFFAOYSA-N
XLogP2.17
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide (CID 66682485) is N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide is CC(=O)N1CCC(N(C)C(=O)n2cnc(-c3ccc(O)cc3)c2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide?
The InChIKey is FHCXRIPVKHARHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13(23)21-9-7-15(8-10-21)20(2)18(25)22-11-17(19-12-22)14-3-5-16(24)6-4-14/h3-6,11-12,15,24H,7-10H2,1-2H3.
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide?
N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide is sourced from PubChem (CID 66682485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).