5-methyl-3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one

C18H30N4O — CID 126940719

IUPAC5-methyl-3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(CCN3CCCCC3)CC2)c1=O
InChIInChI=1S/C18H30N4O/c1-16-13-19-15-22(18(16)23)14-17-5-9-21(10-6-17)12-11-20-7-3-2-4-8-20/h13,15,17H,2-12,14H2,1H3
InChIKeyDVMKPZUIUUWEKQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.75
Rot. Bonds5

About 5-methyl-3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one

5-methyl-3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940719) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 5-methyl-3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940719
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name5-methyl-3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(CCN3CCCCC3)CC2)c1=O
InChIInChI=1S/C18H30N4O/c1-16-13-19-15-22(18(16)23)14-17-5-9-21(10-6-17)12-11-20-7-3-2-4-8-20/h13,15,17H,2-12,14H2,1H3
InChIKeyDVMKPZUIUUWEKQ-UHFFFAOYSA-N
XLogP1.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940719) is 5-methyl-3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(CCN3CCCCC3)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is DVMKPZUIUUWEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-16-13-19-15-22(18(16)23)14-17-5-9-21(10-6-17)12-11-20-7-3-2-4-8-20/h13,15,17H,2-12,14H2,1H3.
What are the key properties of 5-methyl-3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 318.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).