4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one

C17H27N5O2 — CID 135674584

IUPAC4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(CC(=O)N3CCCCC3)CC2)[nH]c(=O)c1C
InChIInChI=1S/C17H27N5O2/c1-13-14(2)18-17(19-16(13)24)22-10-8-20(9-11-22)12-15(23)21-6-4-3-5-7-21/h3-12H2,1-2H3,(H,18,19,24)
InChIKeyCZOLWDCCVSCNBU-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.52
Rot. Bonds3

About 4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one

4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 135674584) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID135674584
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(CC(=O)N3CCCCC3)CC2)[nH]c(=O)c1C
InChIInChI=1S/C17H27N5O2/c1-13-14(2)18-17(19-16(13)24)22-10-8-20(9-11-22)12-15(23)21-6-4-3-5-7-21/h3-12H2,1-2H3,(H,18,19,24)
InChIKeyCZOLWDCCVSCNBU-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-3-(2-morpholinoethyl)-2-piperidino-4(3H)-pyrimidinone
CID 53200969
3-[2-[4-(5-Fluoro-4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 168003790
4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide
CID 135515951
5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135515953
N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide
CID 135674466
4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135674588
4-methyl-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135719556
4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135719715
4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136761450
7-(2,2-Dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137058265
4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137095087
N,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
CID 137095090

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 135674584) is 4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one is Cc1nc(N2CCN(CC(=O)N3CCCCC3)CC2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is CZOLWDCCVSCNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13-14(2)18-17(19-16(13)24)22-10-8-20(9-11-22)12-15(23)21-6-4-3-5-7-21/h3-12H2,1-2H3,(H,18,19,24).
What are the key properties of 4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 333.44 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135674584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).