1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide

C17H29N5O — CID 3228728

IUPAC1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCc1cc(N(C)C)nc(N2CCC(C(=O)NCC(C)C)CC2)n1
InChIInChI=1S/C17H29N5O/c1-12(2)11-18-16(23)14-6-8-22(9-7-14)17-19-13(3)10-15(20-17)21(4)5/h10,12,14H,6-9,11H2,1-5H3,(H,18,23)
InChIKeyVBUUUWNZBOARKX-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.84
Rot. Bonds5

About 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide

1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 3228728) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID3228728
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCc1cc(N(C)C)nc(N2CCC(C(=O)NCC(C)C)CC2)n1
InChIInChI=1S/C17H29N5O/c1-12(2)11-18-16(23)14-6-8-22(9-7-14)17-19-13(3)10-15(20-17)21(4)5/h10,12,14H,6-9,11H2,1-5H3,(H,18,23)
InChIKeyVBUUUWNZBOARKX-UHFFFAOYSA-N
XLogP1.84
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)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 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide (CID 3228728) is 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide is Cc1cc(N(C)C)nc(N2CCC(C(=O)NCC(C)C)CC2)n1.
What is the InChIKey of 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is VBUUUWNZBOARKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-12(2)11-18-16(23)14-6-8-22(9-7-14)17-19-13(3)10-15(20-17)21(4)5/h10,12,14H,6-9,11H2,1-5H3,(H,18,23).
What are the key properties of 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide?
1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 3228728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).