N-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide

C24H32F2N4O — CID 126509913

IUPACN-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide
SMILESCCC(=O)N(CC(C)(C)N1CCN(CCc2ncccc2F)CC1)c1ccccc1F
InChIInChI=1S/C24H32F2N4O/c1-4-23(31)30(22-10-6-5-8-20(22)26)18-24(2,3)29-16-14-28(15-17-29)13-11-21-19(25)9-7-12-27-21/h5-10,12H,4,11,13-18H2,1-3H3
InChIKeyJAUFSCMXPRWFMO-UHFFFAOYSA-N
MW430.54 g/mol
LogP3.74
Rot. Bonds8

About N-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide

N-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide (PubChem CID 126509913) has the molecular formula C24H32F2N4O and a molecular weight of 430.54 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide
PubChem CID126509913
Molecular FormulaC24H32F2N4O
Molecular Weight430.54 g/mol
Exact Mass430.25
IUPAC NameN-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide
SMILESCCC(=O)N(CC(C)(C)N1CCN(CCc2ncccc2F)CC1)c1ccccc1F
InChIInChI=1S/C24H32F2N4O/c1-4-23(31)30(22-10-6-5-8-20(22)26)18-24(2,3)29-16-14-28(15-17-29)13-11-21-19(25)9-7-12-27-21/h5-10,12H,4,11,13-18H2,1-3H3
InChIKeyJAUFSCMXPRWFMO-UHFFFAOYSA-N
XLogP3.74
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]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

N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide
CID 139471561
2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline
CID 126539357
N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide
CID 126539567
[2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 110411350
N-(3-fluoro-2-pyridinyl)-N-propylpropanamide
CID 171524281
ethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate
CID 14987136
1-(3-fluoro-2-pyridinyl)propan-2-one
CID 63198717
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone
CID 118562285
(2-fluorophenyl)-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone;methane
CID 159118723
N-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 54355045
N-(2-fluorophenyl)-N-[(3R,4S)-3-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 67896242

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide (CID 126509913) is N-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide is CCC(=O)N(CC(C)(C)N1CCN(CCc2ncccc2F)CC1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide?
The InChIKey is JAUFSCMXPRWFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N4O/c1-4-23(31)30(22-10-6-5-8-20(22)26)18-24(2,3)29-16-14-28(15-17-29)13-11-21-19(25)9-7-12-27-21/h5-10,12H,4,11,13-18H2,1-3H3.
What are the key properties of N-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide?
N-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide has a molecular weight of 430.54 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide is sourced from PubChem (CID 126509913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).