4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide

C23H29FN4O4 — CID 155983104

IUPAC4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]c(C2CCN(C(=O)COCC3CCCCO3)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H29FN4O4/c24-17-6-4-15(5-7-17)20-21(22(25)30)27-23(26-20)16-8-10-28(11-9-16)19(29)14-31-13-18-3-1-2-12-32-18/h4-7,16,18H,1-3,8-14H2,(H2,25,30)(H,26,27)
InChIKeyRBLGLEPJQXDQDI-UHFFFAOYSA-N
MW444.51 g/mol
LogP2.61
Rot. Bonds7

About 4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide

4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide (PubChem CID 155983104) has the molecular formula C23H29FN4O4 and a molecular weight of 444.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide
PubChem CID155983104
Molecular FormulaC23H29FN4O4
Molecular Weight444.51 g/mol
Exact Mass444.22
IUPAC Name4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]c(C2CCN(C(=O)COCC3CCCCO3)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H29FN4O4/c24-17-6-4-15(5-7-17)20-21(22(25)30)27-23(26-20)16-8-10-28(11-9-16)19(29)14-31-13-18-3-1-2-12-32-18/h4-7,16,18H,1-3,8-14H2,(H2,25,30)(H,26,27)
InChIKeyRBLGLEPJQXDQDI-UHFFFAOYSA-N
XLogP2.61
TPSA110.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-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

1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 110263923
4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide
CID 110092664
1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone
CID 110263919
1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 95598403
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 99971048
2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70729669
4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 56710278
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91832507
7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136696042
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95290908
7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 95220003
1-[4-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 92567746

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide (CID 155983104) is 4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide is NC(=O)c1[nH]c(C2CCN(C(=O)COCC3CCCCO3)CC2)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide?
The InChIKey is RBLGLEPJQXDQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O4/c24-17-6-4-15(5-7-17)20-21(22(25)30)27-23(26-20)16-8-10-28(11-9-16)19(29)14-31-13-18-3-1-2-12-32-18/h4-7,16,18H,1-3,8-14H2,(H2,25,30)(H,26,27).
What are the key properties of 4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide?
4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 155983104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).