3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C24H26FN5O2 — CID 24655411

IUPAC3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCn1ccnc1C(NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1F
InChIInChI=1S/C24H26FN5O2/c1-29-15-13-26-22(29)21(19-11-5-6-12-20(19)25)28-23(31)17-8-7-14-30(16-17)24(32)27-18-9-3-2-4-10-18/h2-6,9-13,15,17,21H,7-8,14,16H2,1H3,(H,27,32)(H,28,31)
InChIKeyGXYMUBAFJJQZTD-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.71
Rot. Bonds5

About 3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 24655411) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID24655411
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCn1ccnc1C(NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1F
InChIInChI=1S/C24H26FN5O2/c1-29-15-13-26-22(29)21(19-11-5-6-12-20(19)25)28-23(31)17-8-7-14-30(16-17)24(32)27-18-9-3-2-4-10-18/h2-6,9-13,15,17,21H,7-8,14,16H2,1H3,(H,27,32)(H,28,31)
InChIKeyGXYMUBAFJJQZTD-UHFFFAOYSA-N
XLogP3.71
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide 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

(3R)-3-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 31359319
(3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 27035334
1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122008
(3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide
CID 51927315
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
(1R)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 51933520
(3R)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 39724956
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 42924134
1-(4-chlorophenyl)-3-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430473
1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 41430481
1-(4-chlorophenyl)-3-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 17489943
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556505

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 24655411) is 3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is Cn1ccnc1C(NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1F.
What is the InChIKey of 3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is GXYMUBAFJJQZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-29-15-13-26-22(29)21(19-11-5-6-12-20(19)25)28-23(31)17-8-7-14-30(16-17)24(32)27-18-9-3-2-4-10-18/h2-6,9-13,15,17,21H,7-8,14,16H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 435.50 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 24655411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).