4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one

C17H27N5O2 — CID 136761450

IUPAC4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(CC(=O)N3CCCC(C)C3)CC2)n1
InChIInChI=1S/C17H27N5O2/c1-13-4-3-5-22(11-13)16(24)12-20-6-8-21(9-7-20)17-18-14(2)10-15(23)19-17/h10,13H,3-9,11-12H2,1-2H3,(H,18,19,23)
InChIKeyRUUZIIZZMISQSC-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.46
Rot. Bonds3

About 4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one

4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136761450) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136761450
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(CC(=O)N3CCCC(C)C3)CC2)n1
InChIInChI=1S/C17H27N5O2/c1-13-4-3-5-22(11-13)16(24)12-20-6-8-21(9-7-20)17-18-14(2)10-15(23)19-17/h10,13H,3-9,11-12H2,1-2H3,(H,18,19,23)
InChIKeyRUUZIIZZMISQSC-UHFFFAOYSA-N
XLogP0.46
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one (CID 136761450) is 4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCN(CC(=O)N3CCCC(C)C3)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is RUUZIIZZMISQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13-4-3-5-22(11-13)16(24)12-20-6-8-21(9-7-20)17-18-14(2)10-15(23)19-17/h10,13H,3-9,11-12H2,1-2H3,(H,18,19,23).
What are the key properties of 4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one?
4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 333.44 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136761450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).