1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde

C11H15N3O3 — CID 137008211

IUPAC1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
SMILESCOc1c(N2CCCCC2C=O)nc[nH]c1=O
InChIInChI=1S/C11H15N3O3/c1-17-9-10(12-7-13-11(9)16)14-5-3-2-4-8(14)6-15/h6-8H,2-5H2,1H3,(H,12,13,16)
InChIKeyXSUWZVUQIPNEGN-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.34
Rot. Bonds3

About 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde

1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde (PubChem CID 137008211) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
PubChem CID137008211
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
SMILESCOc1c(N2CCCCC2C=O)nc[nH]c1=O
InChIInChI=1S/C11H15N3O3/c1-17-9-10(12-7-13-11(9)16)14-5-3-2-4-8(14)6-15/h6-8H,2-5H2,1H3,(H,12,13,16)
InChIKeyXSUWZVUQIPNEGN-UHFFFAOYSA-N
XLogP0.34
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008213
4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136989360
4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 137007961
4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136726439
5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008133
1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542383
1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542379
4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136973295
5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009463
5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008974
4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136989767
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136958326

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde (CID 137008211) is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde is COc1c(N2CCCCC2C=O)nc[nH]c1=O.
What is the InChIKey of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The InChIKey is XSUWZVUQIPNEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-9-10(12-7-13-11(9)16)14-5-3-2-4-8(14)6-15/h6-8H,2-5H2,1H3,(H,12,13,16).
What are the key properties of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde has a molecular weight of 237.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde is sourced from PubChem (CID 137008211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).