N-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

C20H33F3N6O — CID 60502913

IUPACN-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2nc(N(C)C)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C20H33F3N6O/c1-5-28(6-2)11-7-10-24-18(30)15-8-12-29(13-9-15)19-25-16(20(21,22)23)14-17(26-19)27(3)4/h14-15H,5-13H2,1-4H3,(H,24,30)
InChIKeyYLZIILVWODIFIQ-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.63
Rot. Bonds9

About N-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

N-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 60502913) has the molecular formula C20H33F3N6O and a molecular weight of 430.52 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID60502913
Molecular FormulaC20H33F3N6O
Molecular Weight430.52 g/mol
Exact Mass430.27
IUPAC NameN-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2nc(N(C)C)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C20H33F3N6O/c1-5-28(6-2)11-7-10-24-18(30)15-8-12-29(13-9-15)19-25-16(20(21,22)23)14-17(26-19)27(3)4/h14-15H,5-13H2,1-4H3,(H,24,30)
InChIKeyYLZIILVWODIFIQ-UHFFFAOYSA-N
XLogP2.63
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-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

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 60502913) is N-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is CCN(CC)CCCNC(=O)C1CCN(c2nc(N(C)C)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is YLZIILVWODIFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33F3N6O/c1-5-28(6-2)11-7-10-24-18(30)15-8-12-29(13-9-15)19-25-16(20(21,22)23)14-17(26-19)27(3)4/h14-15H,5-13H2,1-4H3,(H,24,30).
What are the key properties of N-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
N-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 430.52 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 60502913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).