2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide

C26H29FN4O — CID 24732095

IUPAC2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N(Cc1cccnc1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C26H29FN4O/c27-23-8-6-21(7-9-23)18-26(32)31(20-22-4-3-13-28-19-22)25-11-16-30(17-12-25)15-10-24-5-1-2-14-29-24/h1-9,13-14,19,25H,10-12,15-18,20H2
InChIKeyBDAAWAPNKRFEET-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.89
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide

2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 24732095) has the molecular formula C26H29FN4O and a molecular weight of 432.54 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID24732095
Molecular FormulaC26H29FN4O
Molecular Weight432.54 g/mol
Exact Mass432.23
IUPAC Name2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N(Cc1cccnc1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C26H29FN4O/c27-23-8-6-21(7-9-23)18-26(32)31(20-22-4-3-13-28-19-22)25-11-16-30(17-12-25)15-10-24-5-1-2-14-29-24/h1-9,13-14,19,25H,10-12,15-18,20H2
InChIKeyBDAAWAPNKRFEET-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide 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

N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 24732380
N-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732069
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 171910751
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 112799744
N-cyclopropyl-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46124380
1-[2-(4-fluorophenyl)ethyl]-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 75382354
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide
CID 146091210
N-methyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 2055754
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
CID 24732177
N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 129008012

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 24732095) is 2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1ccc(F)cc1)N(Cc1cccnc1)C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is BDAAWAPNKRFEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O/c27-23-8-6-21(7-9-23)18-26(32)31(20-22-4-3-13-28-19-22)25-11-16-30(17-12-25)15-10-24-5-1-2-14-29-24/h1-9,13-14,19,25H,10-12,15-18,20H2.
What are the key properties of 2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 432.54 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 24732095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).