4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one

C14H22N4O — CID 136957574

IUPAC4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(N3CCCCC3)CC2)nc[nH]1
InChIInChI=1S/C14H22N4O/c19-14-10-13(15-11-16-14)18-8-4-12(5-9-18)17-6-2-1-3-7-17/h10-12H,1-9H2,(H,15,16,19)
InChIKeyKWPDMNLOHPICNC-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.22
Rot. Bonds2

About 4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one

4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136957574) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136957574
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(N3CCCCC3)CC2)nc[nH]1
InChIInChI=1S/C14H22N4O/c19-14-10-13(15-11-16-14)18-8-4-12(5-9-18)17-6-2-1-3-7-17/h10-12H,1-9H2,(H,15,16,19)
InChIKeyKWPDMNLOHPICNC-UHFFFAOYSA-N
XLogP1.22
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136957574) is 4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one is O=c1cc(N2CCC(N3CCCCC3)CC2)nc[nH]1.
What is the InChIKey of 4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is KWPDMNLOHPICNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14-10-13(15-11-16-14)18-8-4-12(5-9-18)17-6-2-1-3-7-17/h10-12H,1-9H2,(H,15,16,19).
What are the key properties of 4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 262.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).