cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone

C17H26N4O — CID 814901

IUPACcyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(C)c(C)c(N2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C17H26N4O/c1-12-13(2)18-14(3)19-16(12)20-8-10-21(11-9-20)17(22)15-6-4-5-7-15/h15H,4-11H2,1-3H3
InChIKeyTZKSWYSJCODPRN-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.24
Rot. Bonds2

About cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone

cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 814901) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID814901
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Namecyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(C)c(C)c(N2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C17H26N4O/c1-12-13(2)18-14(3)19-16(12)20-8-10-21(11-9-20)17(22)15-6-4-5-7-15/h15H,4-11H2,1-3H3
InChIKeyTZKSWYSJCODPRN-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 154882571
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
2,2-dichloro-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 814898
3,3-dimethyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 814778
cyclopentyl-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 42671820
cyclohexyl-[4-[(7R)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 1466569
[4-(azepan-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclohexylmethanone
CID 5260777
(1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 72940576
cyclobutyl-[4-[1-(4-fluorophenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42671493
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclohexyl-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 56920979
1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]heptan-1-one
CID 4193516

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 814901) is cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nc(C)c(C)c(N2CCN(C(=O)C3CCCC3)CC2)n1.
What is the InChIKey of cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is TZKSWYSJCODPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-12-13(2)18-14(3)19-16(12)20-8-10-21(11-9-20)17(22)15-6-4-5-7-15/h15H,4-11H2,1-3H3.
What are the key properties of cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone?
cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 814901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).