2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide

C15H20N6O — CID 56805054

IUPAC2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide
SMILESCC(C(=O)Nc1ncccn1)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C15H20N6O/c1-12(14(22)19-15-17-5-2-6-18-15)20-8-3-13(4-9-20)21-10-7-16-11-21/h2,5-7,10-13H,3-4,8-9H2,1H3,(H,17,18,19,22)
InChIKeyIWFVMUAYARJPDF-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.34
Rot. Bonds4

About 2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide

2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide (PubChem CID 56805054) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide
PubChem CID56805054
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide
SMILESCC(C(=O)Nc1ncccn1)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C15H20N6O/c1-12(14(22)19-15-17-5-2-6-18-15)20-8-3-13(4-9-20)21-10-7-16-11-21/h2,5-7,10-13H,3-4,8-9H2,1H3,(H,17,18,19,22)
InChIKeyIWFVMUAYARJPDF-UHFFFAOYSA-N
XLogP1.34
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide 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 2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide (CID 56805054) is 2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide is CC(C(=O)Nc1ncccn1)N1CCC(n2ccnc2)CC1.
What is the InChIKey of 2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide?
The InChIKey is IWFVMUAYARJPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-12(14(22)19-15-17-5-2-6-18-15)20-8-3-13(4-9-20)21-10-7-16-11-21/h2,5-7,10-13H,3-4,8-9H2,1H3,(H,17,18,19,22).
What are the key properties of 2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide?
2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide has a molecular weight of 300.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 56805054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).