1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide

C16H26N4O2 — CID 3228706

IUPAC1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCOc1cc(C)nc(N2CCCC(C(=O)NCC(C)C)C2)n1
InChIInChI=1S/C16H26N4O2/c1-11(2)9-17-15(21)13-6-5-7-20(10-13)16-18-12(3)8-14(19-16)22-4/h8,11,13H,5-7,9-10H2,1-4H3,(H,17,21)
InChIKeyWYHKYKXXSFWQKG-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.78
Rot. Bonds5

About 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide

1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 3228706) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID3228706
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCOc1cc(C)nc(N2CCCC(C(=O)NCC(C)C)C2)n1
InChIInChI=1S/C16H26N4O2/c1-11(2)9-17-15(21)13-6-5-7-20(10-13)16-18-12(3)8-14(19-16)22-4/h8,11,13H,5-7,9-10H2,1-4H3,(H,17,21)
InChIKeyWYHKYKXXSFWQKG-UHFFFAOYSA-N
XLogP1.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide (CID 3228706) is 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide is COc1cc(C)nc(N2CCCC(C(=O)NCC(C)C)C2)n1.
What is the InChIKey of 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is WYHKYKXXSFWQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)9-17-15(21)13-6-5-7-20(10-13)16-18-12(3)8-14(19-16)22-4/h8,11,13H,5-7,9-10H2,1-4H3,(H,17,21).
What are the key properties of 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide?
1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 3228706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).