1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide

C11H16N4O2 — CID 154883318

IUPAC1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1cnc(N2CCC(C(N)=O)CC2)nc1
InChIInChI=1S/C11H16N4O2/c1-17-9-6-13-11(14-7-9)15-4-2-8(3-5-15)10(12)16/h6-8H,2-5H2,1H3,(H2,12,16)
InChIKeyLHSSXZQHNXVLLD-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.19
Rot. Bonds3

About 1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide

1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 154883318) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID154883318
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1cnc(N2CCC(C(N)=O)CC2)nc1
InChIInChI=1S/C11H16N4O2/c1-17-9-6-13-11(14-7-9)15-4-2-8(3-5-15)10(12)16/h6-8H,2-5H2,1H3,(H2,12,16)
InChIKeyLHSSXZQHNXVLLD-UHFFFAOYSA-N
XLogP0.19
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide (CID 154883318) is 1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide is COc1cnc(N2CCC(C(N)=O)CC2)nc1.
What is the InChIKey of 1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is LHSSXZQHNXVLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-9-6-13-11(14-7-9)15-4-2-8(3-5-15)10(12)16/h6-8H,2-5H2,1H3,(H2,12,16).
What are the key properties of 1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 154883318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).