N-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

C14H22N4O2 — CID 3634989

IUPACN-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-11-3-6-16-14(17-11)18-8-4-12(5-9-18)13(19)15-7-10-20-2/h3,6,12H,4-5,7-10H2,1-2H3,(H,15,19)
InChIKeyCJSZBIZZLSHSFN-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.76
Rot. Bonds5

About N-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

N-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 3634989) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID3634989
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-11-3-6-16-14(17-11)18-8-4-12(5-9-18)13(19)15-7-10-20-2/h3,6,12H,4-5,7-10H2,1-2H3,(H,15,19)
InChIKeyCJSZBIZZLSHSFN-UHFFFAOYSA-N
XLogP0.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.76
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 N-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 3634989) is N-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(c2nccc(C)n2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is CJSZBIZZLSHSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-3-6-16-14(17-11)18-8-4-12(5-9-18)13(19)15-7-10-20-2/h3,6,12H,4-5,7-10H2,1-2H3,(H,15,19).
What are the key properties of N-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3634989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).