5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one

C20H31N7O2 — CID 122333843

IUPAC5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one
SMILESCc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)C3CCC(=O)NC3)CC2)n1
InChIInChI=1S/C20H31N7O2/c1-15-13-17(25-7-5-24(2)6-8-25)23-20(22-15)27-11-9-26(10-12-27)19(29)16-3-4-18(28)21-14-16/h13,16H,3-12,14H2,1-2H3,(H,21,28)
InChIKeyOIJIBZWOZVSSJC-UHFFFAOYSA-N
MW401.52 g/mol
LogP-0.29
Rot. Bonds3

About 5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one

5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one (PubChem CID 122333843) has the molecular formula C20H31N7O2 and a molecular weight of 401.52 g/mol. Its IUPAC name is 5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one
PubChem CID122333843
Molecular FormulaC20H31N7O2
Molecular Weight401.52 g/mol
Exact Mass401.25
IUPAC Name5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one
SMILESCc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)C3CCC(=O)NC3)CC2)n1
InChIInChI=1S/C20H31N7O2/c1-15-13-17(25-7-5-24(2)6-8-25)23-20(22-15)27-11-9-26(10-12-27)19(29)16-3-4-18(28)21-14-16/h13,16H,3-12,14H2,1-2H3,(H,21,28)
InChIKeyOIJIBZWOZVSSJC-UHFFFAOYSA-N
XLogP-0.29
TPSA84.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one with MolForge

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Related Compounds

4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one
CID 122333101
cyclopentyl-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50944669
5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 112729081
4-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 122333770
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121031849
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
4-methyl-6-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpyrimidine
CID 99980092
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 122333800
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
(5-bromo-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 122333753

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one (CID 122333843) is 5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one is Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)C3CCC(=O)NC3)CC2)n1.
What is the InChIKey of 5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is OIJIBZWOZVSSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O2/c1-15-13-17(25-7-5-24(2)6-8-25)23-20(22-15)27-11-9-26(10-12-27)19(29)16-3-4-18(28)21-14-16/h13,16H,3-12,14H2,1-2H3,(H,21,28).
What are the key properties of 5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one?
5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 401.52 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 122333843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).