N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide

C13H20N4O3 — CID 122260046

IUPACN-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C13H20N4O3/c1-19-8-6-15-13(18)17-7-2-3-11(9-17)20-12-4-5-14-10-16-12/h4-5,10-11H,2-3,6-9H2,1H3,(H,15,18)
InChIKeyZGKZYXYYYZPTHM-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.68
Rot. Bonds5

About N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide

N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide (PubChem CID 122260046) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
PubChem CID122260046
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C13H20N4O3/c1-19-8-6-15-13(18)17-7-2-3-11(9-17)20-12-4-5-14-10-16-12/h4-5,10-11H,2-3,6-9H2,1H3,(H,15,18)
InChIKeyZGKZYXYYYZPTHM-UHFFFAOYSA-N
XLogP0.68
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.68
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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Related Compounds

N-propyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260053
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044
N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122161080
3-(5-bromopyrimidin-2-yl)oxy-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122259108
3-chloro-2,2-dimethyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 122259763
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122259749
N-(2-methoxyethyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 91627281
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122259782
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 122259783
2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161052
1-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)imidazolidin-2-one
CID 122161089

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide (CID 122260046) is N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide is COCCNC(=O)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide?
The InChIKey is ZGKZYXYYYZPTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-19-8-6-15-13(18)17-7-2-3-11(9-17)20-12-4-5-14-10-16-12/h4-5,10-11H,2-3,6-9H2,1H3,(H,15,18).
What are the key properties of N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide?
N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 122260046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).