1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

C18H27N5O2 — CID 109364260

IUPAC1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C(=O)N3CCC(C)CC3)nc(C)n2)CC1
InChIInChI=1S/C18H27N5O2/c1-13-4-6-23(7-5-13)18(25)16-12-17(20-14(2)19-16)22-10-8-21(9-11-22)15(3)24/h12-13H,4-11H2,1-3H3
InChIKeyASBLMOHHTGUOOS-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.33
Rot. Bonds2

About 1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 109364260) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID109364260
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C(=O)N3CCC(C)CC3)nc(C)n2)CC1
InChIInChI=1S/C18H27N5O2/c1-13-4-6-23(7-5-13)18(25)16-12-17(20-14(2)19-16)22-10-8-21(9-11-22)15(3)24/h12-13H,4-11H2,1-3H3
InChIKeyASBLMOHHTGUOOS-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364088
(4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109362694
1-[4-[6-(azepane-1-carbonyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109367746
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364296
[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364291
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109364142
[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363677
[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 75538812
[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 75538862
[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109363064
[6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 97458115
[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538840

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 109364260) is 1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C(=O)N3CCC(C)CC3)nc(C)n2)CC1.
What is the InChIKey of 1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is ASBLMOHHTGUOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13-4-6-23(7-5-13)18(25)16-12-17(20-14(2)19-16)22-10-8-21(9-11-22)15(3)24/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 345.45 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109364260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).