3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

C21H27FN4O — CID 109026004

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(CCc1ccncc1)C(=O)CCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H27FN4O/c1-24(12-8-18-6-10-23-11-7-18)21(27)9-13-25-14-16-26(17-15-25)20-4-2-19(22)3-5-20/h2-7,10-11H,8-9,12-17H2,1H3
InChIKeyOBQSRBZDQHGUOW-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.43
Rot. Bonds7

About 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 109026004) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID109026004
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(CCc1ccncc1)C(=O)CCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H27FN4O/c1-24(12-8-18-6-10-23-11-7-18)21(27)9-13-25-14-16-26(17-15-25)20-4-2-19(22)3-5-20/h2-7,10-11H,8-9,12-17H2,1H3
InChIKeyOBQSRBZDQHGUOW-UHFFFAOYSA-N
XLogP2.43
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide 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

3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026014
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 90649983
N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 109002192
N-[2-(4-fluorophenyl)ethyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109024942
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112895579
4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993682
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113160629
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 112993738
2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 79328384

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 109026004) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is CN(CCc1ccncc1)C(=O)CCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is OBQSRBZDQHGUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-24(12-8-18-6-10-23-11-7-18)21(27)9-13-25-14-16-26(17-15-25)20-4-2-19(22)3-5-20/h2-7,10-11H,8-9,12-17H2,1H3.
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 370.47 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 109026004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).