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

C17H27N5O2 — CID 135719556

IUPAC4-methyl-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(CC(=O)N3CCCCC3C)CC2)n1
InChIInChI=1S/C17H27N5O2/c1-13-11-15(23)19-17(18-13)21-9-7-20(8-10-21)12-16(24)22-6-4-3-5-14(22)2/h11,14H,3-10,12H2,1-2H3,(H,18,19,23)
InChIKeyXTQLYJOIUQBJDP-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.60
Rot. Bonds3

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

4-methyl-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 135719556) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-methyl-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID135719556
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-methyl-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(CC(=O)N3CCCCC3C)CC2)n1
InChIInChI=1S/C17H27N5O2/c1-13-11-15(23)19-17(18-13)21-9-7-20(8-10-21)12-16(24)22-6-4-3-5-14(22)2/h11,14H,3-10,12H2,1-2H3,(H,18,19,23)
InChIKeyXTQLYJOIUQBJDP-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
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-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one (CID 135719556) is 4-methyl-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCN(CC(=O)N3CCCCC3C)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is XTQLYJOIUQBJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13-11-15(23)19-17(18-13)21-9-7-20(8-10-21)12-16(24)22-6-4-3-5-14(22)2/h11,14H,3-10,12H2,1-2H3,(H,18,19,23).
What are the key properties of 4-methyl-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one?
4-methyl-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 333.44 g/mol, XLogP of 0.60, 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-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135719556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).