1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide

C16H26N4O2 — CID 648946

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C16H26N4O2/c1-12-11-13(2)19-16(18-12)20-8-5-14(6-9-20)15(21)17-7-4-10-22-3/h11,14H,4-10H2,1-3H3,(H,17,21)
InChIKeyCFSZTRVRRJDBLO-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.46
Rot. Bonds6

About 1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 648946) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID648946
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C16H26N4O2/c1-12-11-13(2)19-16(18-12)20-8-5-14(6-9-20)15(21)17-7-4-10-22-3/h11,14H,4-10H2,1-3H3,(H,17,21)
InChIKeyCFSZTRVRRJDBLO-UHFFFAOYSA-N
XLogP1.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 648946) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is CFSZTRVRRJDBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-11-13(2)19-16(18-12)20-8-5-14(6-9-20)15(21)17-7-4-10-22-3/h11,14H,4-10H2,1-3H3,(H,17,21).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 648946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).