4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one

C20H29N5O2 — CID 122333101

IUPAC4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one
SMILESCc1cc(N2CCCC2)nc(N2CCN(C(=O)C3CCC(=O)CC3)CC2)n1
InChIInChI=1S/C20H29N5O2/c1-15-14-18(23-8-2-3-9-23)22-20(21-15)25-12-10-24(11-13-25)19(27)16-4-6-17(26)7-5-16/h14,16H,2-13H2,1H3
InChIKeyAHQOMXIHJGPGFN-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.79
Rot. Bonds3

About 4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one

4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one (PubChem CID 122333101) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one
PubChem CID122333101
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one
SMILESCc1cc(N2CCCC2)nc(N2CCN(C(=O)C3CCC(=O)CC3)CC2)n1
InChIInChI=1S/C20H29N5O2/c1-15-14-18(23-8-2-3-9-23)22-20(21-15)25-12-10-24(11-13-25)19(27)16-4-6-17(26)7-5-16/h14,16H,2-13H2,1H3
InChIKeyAHQOMXIHJGPGFN-UHFFFAOYSA-N
XLogP1.79
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one with MolForge

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Related Compounds

cyclopentyl-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50944669
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one
CID 122333843
[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121031849
3,3,3-trifluoro-1-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122339575
6-methyl-3-[2-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122333139
(3,5-dimethylphenyl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 18566524
1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122339739
6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122339848
2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 70702951
4-methyl-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112909232

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one?
The IUPAC name of 4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one (CID 122333101) is 4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one?
The canonical SMILES for 4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one is Cc1cc(N2CCCC2)nc(N2CCN(C(=O)C3CCC(=O)CC3)CC2)n1.
What is the InChIKey of 4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one?
The InChIKey is AHQOMXIHJGPGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15-14-18(23-8-2-3-9-23)22-20(21-15)25-12-10-24(11-13-25)19(27)16-4-6-17(26)7-5-16/h14,16H,2-13H2,1H3.
What are the key properties of 4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one?
4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one has a molecular weight of 371.49 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one is sourced from PubChem (CID 122333101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).