N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide

C23H32FN5O — CID 53062200

IUPACN-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1
InChIInChI=1S/C23H32FN5O/c1-3-28(4-2)12-6-11-25-23(30)18-9-13-29(14-10-18)22-16-21(26-17-27-22)19-7-5-8-20(24)15-19/h5,7-8,15-18H,3-4,6,9-14H2,1-2H3,(H,25,30)
InChIKeyIJZPJKVEBLBDMT-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.35
Rot. Bonds9

About N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 53062200) has the molecular formula C23H32FN5O and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID53062200
Molecular FormulaC23H32FN5O
Molecular Weight413.54 g/mol
Exact Mass413.26
IUPAC NameN-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1
InChIInChI=1S/C23H32FN5O/c1-3-28(4-2)12-6-11-25-23(30)18-9-13-29(14-10-18)22-16-21(26-17-27-22)19-7-5-8-20(24)15-19/h5,7-8,15-18H,3-4,6,9-14H2,1-2H3,(H,25,30)
InChIKeyIJZPJKVEBLBDMT-UHFFFAOYSA-N
XLogP3.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-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-butyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062056
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-hexylpiperidine-4-carboxamide
CID 53005503
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide
CID 53005508
N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53061994
N-(3-ethoxypropyl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53005507
N-(3-methoxypropyl)-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062063
1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53062120
N-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062234
N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062132
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062203
1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 53062035
1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
CID 51328372

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 53062200) is N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide is CCN(CC)CCCNC(=O)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1.
What is the InChIKey of N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is IJZPJKVEBLBDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5O/c1-3-28(4-2)12-6-11-25-23(30)18-9-13-29(14-10-18)22-16-21(26-17-27-22)19-7-5-8-20(24)15-19/h5,7-8,15-18H,3-4,6,9-14H2,1-2H3,(H,25,30).
What are the key properties of N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53062200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).