6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde

C16H17N3O2 — CID 136679117

IUPAC6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde
SMILESO=Cc1c(N2CCC(c3ccccc3)CC2)nc[nH]c1=O
InChIInChI=1S/C16H17N3O2/c20-10-14-15(17-11-18-16(14)21)19-8-6-13(7-9-19)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,17,18,21)
InChIKeyGSKCDFGRKFDHRD-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.97
Rot. Bonds3

About 6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde

6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde (PubChem CID 136679117) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde
PubChem CID136679117
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde
SMILESO=Cc1c(N2CCC(c3ccccc3)CC2)nc[nH]c1=O
InChIInChI=1S/C16H17N3O2/c20-10-14-15(17-11-18-16(14)21)19-8-6-13(7-9-19)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,17,18,21)
InChIKeyGSKCDFGRKFDHRD-UHFFFAOYSA-N
XLogP1.97
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde
CID 142671331
5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one
CID 47151514
5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136978043
4-(4-tert-butylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957733
1-benzyl-4-(4-phenylpiperidin-1-yl)phthalazine
CID 25066929
4-(4-phenylpiperidin-1-yl)-1,3-thiazole
CID 175743115
(3S)-3-phenylpyrrolidine-1-carbaldehyde
CID 175059746
4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine
CID 154349377
4-[4-(bromomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136971982
(5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 70812056
5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009406
2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine
CID 136528453

Frequently Asked Questions

What is the IUPAC name of 6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde?
The IUPAC name of 6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde (CID 136679117) is 6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde.
What is the SMILES notation for 6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde?
The canonical SMILES for 6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde is O=Cc1c(N2CCC(c3ccccc3)CC2)nc[nH]c1=O.
What is the InChIKey of 6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde?
The InChIKey is GSKCDFGRKFDHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-10-14-15(17-11-18-16(14)21)19-8-6-13(7-9-19)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,17,18,21).
What are the key properties of 6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde?
6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde has a molecular weight of 283.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde is sourced from PubChem (CID 136679117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).