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

C16H26N4O3 — CID 43817668

IUPAC1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2nc(C)cc(OC)n2)CC1
InChIInChI=1S/C16H26N4O3/c1-12-11-14(23-3)19-16(18-12)20-8-5-13(6-9-20)15(21)17-7-4-10-22-2/h11,13H,4-10H2,1-3H3,(H,17,21)
InChIKeyGYGSTYQIOAZHQF-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.16
Rot. Bonds7

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

1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 43817668) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID43817668
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2nc(C)cc(OC)n2)CC1
InChIInChI=1S/C16H26N4O3/c1-12-11-14(23-3)19-16(18-12)20-8-5-13(6-9-20)15(21)17-7-4-10-22-2/h11,13H,4-10H2,1-3H3,(H,17,21)
InChIKeyGYGSTYQIOAZHQF-UHFFFAOYSA-N
XLogP1.16
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 43817668) is 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(c2nc(C)cc(OC)n2)CC1.
What is the InChIKey of 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is GYGSTYQIOAZHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-12-11-14(23-3)19-16(18-12)20-8-5-13(6-9-20)15(21)17-7-4-10-22-2/h11,13H,4-10H2,1-3H3,(H,17,21).
What are the key properties of 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.16, 7 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-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 43817668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).