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

C17H26N4O3 — CID 3228705

IUPAC1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESCOc1cc(C)nc(N2CCCC(C(=O)NCC3CCCO3)C2)n1
InChIInChI=1S/C17H26N4O3/c1-12-9-15(23-2)20-17(19-12)21-7-3-5-13(11-21)16(22)18-10-14-6-4-8-24-14/h9,13-14H,3-8,10-11H2,1-2H3,(H,18,22)
InChIKeyHVLBZKZPUGAUQC-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.31
Rot. Bonds5

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

1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 3228705) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID3228705
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESCOc1cc(C)nc(N2CCCC(C(=O)NCC3CCCO3)C2)n1
InChIInChI=1S/C17H26N4O3/c1-12-9-15(23-2)20-17(19-12)21-7-3-5-13(11-21)16(22)18-10-14-6-4-8-24-14/h9,13-14H,3-8,10-11H2,1-2H3,(H,18,22)
InChIKeyHVLBZKZPUGAUQC-UHFFFAOYSA-N
XLogP1.31
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (CID 3228705) is 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is COc1cc(C)nc(N2CCCC(C(=O)NCC3CCCO3)C2)n1.
What is the InChIKey of 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is HVLBZKZPUGAUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-9-15(23-2)20-17(19-12)21-7-3-5-13(11-21)16(22)18-10-14-6-4-8-24-14/h9,13-14H,3-8,10-11H2,1-2H3,(H,18,22).
What are the key properties of 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 3228705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).