2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide

C22H27FN4O2 — CID 110092685

IUPAC2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]c(C2CCN(CC3=CCCOC3)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H27FN4O2/c1-24-22(28)20-19(16-4-6-18(23)7-5-16)25-21(26-20)17-8-10-27(11-9-17)13-15-3-2-12-29-14-15/h3-7,17H,2,8-14H2,1H3,(H,24,28)(H,25,26)
InChIKeyIVEVKUUAIOUFJF-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.10
Rot. Bonds5

About 2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide

2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide (PubChem CID 110092685) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide
PubChem CID110092685
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]c(C2CCN(CC3=CCCOC3)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H27FN4O2/c1-24-22(28)20-19(16-4-6-18(23)7-5-16)25-21(26-20)17-8-10-27(11-9-17)13-15-3-2-12-29-14-15/h3-7,17H,2,8-14H2,1H3,(H,24,28)(H,25,26)
InChIKeyIVEVKUUAIOUFJF-UHFFFAOYSA-N
XLogP3.10
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide
CID 155983105
4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 110092665
2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 92619042
2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 92619049
4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide
CID 110092664
4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 92620301
2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 110092686
N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
CID 155983106
2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 129360797
4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 155983104
4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine
CID 69103133
N-methyl-2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide
CID 24897099

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide (CID 110092685) is 2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide is CNC(=O)c1[nH]c(C2CCN(CC3=CCCOC3)CC2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide?
The InChIKey is IVEVKUUAIOUFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-24-22(28)20-19(16-4-6-18(23)7-5-16)25-21(26-20)17-8-10-27(11-9-17)13-15-3-2-12-29-14-15/h3-7,17H,2,8-14H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide?
2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110092685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).