N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

C21H26FN3O3 — CID 3242718

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O3/c1-15-14-19(26)28-16(2)20(15)21(27)23-8-5-9-24-10-12-25(13-11-24)18-7-4-3-6-17(18)22/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,23,27)
InChIKeyQKAQRWYRMXAUSY-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.34
Rot. Bonds6

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 3242718) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID3242718
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O3/c1-15-14-19(26)28-16(2)20(15)21(27)23-8-5-9-24-10-12-25(13-11-24)18-7-4-3-6-17(18)22/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,23,27)
InChIKeyQKAQRWYRMXAUSY-UHFFFAOYSA-N
XLogP2.34
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-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

N-(4-fluorophenyl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 917428
N-(2-fluorophenyl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 917546
N-(3-fluorophenyl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 3467018
N-{3-[butyl(phenyl)amino]propyl}-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 3235619
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 3239311
N-(4-(dimethylamino)phenyl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 949666
5-(4-(4-fluorophenyl)piperazine-1-carbonyl)-2H-pyran-2-one
CID 662181
2-Ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-A]azepin-4-one
CID 53338068
N-(2-Fluorophenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904421
5-[4-(4-Fluoro-phenyl)-piperazine-1-carbonyl]-4,6-dimethyl-pyran-2-one
CID 950132
N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxo-3-pyrancarboxamide
CID 3243334
N-{3-[ethyl(3-methylphenyl)amino]propyl}-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 3244834

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 3242718) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NCCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is QKAQRWYRMXAUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-15-14-19(26)28-16(2)20(15)21(27)23-8-5-9-24-10-12-25(13-11-24)18-7-4-3-6-17(18)22/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,23,27).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 3242718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).