4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one

C15H23N5O2 — CID 135674588

IUPAC4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(C(=O)N3CCCCC3)CC2)n1
InChIInChI=1S/C15H23N5O2/c1-12-11-13(21)17-14(16-12)18-7-9-20(10-8-18)15(22)19-5-3-2-4-6-19/h11H,2-10H2,1H3,(H,16,17,21)
InChIKeyUOERLYISFJVRIG-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.81
Rot. Bonds1

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

4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 135674588) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID135674588
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(C(=O)N3CCCCC3)CC2)n1
InChIInChI=1S/C15H23N5O2/c1-12-11-13(21)17-14(16-12)18-7-9-20(10-8-18)15(22)19-5-3-2-4-6-19/h11H,2-10H2,1H3,(H,16,17,21)
InChIKeyUOERLYISFJVRIG-UHFFFAOYSA-N
XLogP0.81
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-2-(piperidin-1-yl)pyrimidin-4-ol
CID 135406154
6-Methyl-3-[2-(morpholin-4-YL)ethyl]-2-(piperidin-1-YL)-3,4-dihydropyrimidin-4-one
CID 53200954
2-(3-Aminopiperidin-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137154967
2-Butylureido-6-methyl-4-pyrimidinone
CID 135708798
4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide
CID 135931796
6-Methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-ol
CID 135505922
N-(4,4-difluoropiperidin-3-yl)-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137999936
2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135536917
4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135674584
4-methyl-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135719556
N,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
CID 136673297
4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136761450

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 135674588) is 4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCN(C(=O)N3CCCCC3)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is UOERLYISFJVRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-12-11-13(21)17-14(16-12)18-7-9-20(10-8-18)15(22)19-5-3-2-4-6-19/h11H,2-10H2,1H3,(H,16,17,21).
What are the key properties of 4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 305.38 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135674588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).