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

C12H18N4O2 — CID 649678

IUPAC1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1cc(C)nc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-8-7-10(18-2)15-12(14-8)16-5-3-9(4-6-16)11(13)17/h7,9H,3-6H2,1-2H3,(H2,13,17)
InChIKeyKQDYVRSEJBRNMO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.50
Rot. Bonds3

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

1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 649678) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID649678
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1cc(C)nc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-8-7-10(18-2)15-12(14-8)16-5-3-9(4-6-16)11(13)17/h7,9H,3-6H2,1-2H3,(H2,13,17)
InChIKeyKQDYVRSEJBRNMO-UHFFFAOYSA-N
XLogP0.50
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 649678) is 1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide is COc1cc(C)nc(N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is KQDYVRSEJBRNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-7-10(18-2)15-12(14-8)16-5-3-9(4-6-16)11(13)17/h7,9H,3-6H2,1-2H3,(H2,13,17).
What are the key properties of 1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide?
1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 649678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).