(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone

C24H40N6O — CID 142913141

IUPAC(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(CC3CCCNC3)C(C)C2)CC1
InChIInChI=1S/C24H40N6O/c1-18-15-30(13-12-29(18)16-21-6-5-9-25-14-21)24(4)7-10-28(11-8-24)23(31)22-19(2)26-17-27-20(22)3/h17-18,21,25H,5-16H2,1-4H3
InChIKeyQHNNOHXNQOLBFE-UHFFFAOYSA-N
MW428.63 g/mol
LogP2.09
Rot. Bonds4

About (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone

(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 142913141) has the molecular formula C24H40N6O and a molecular weight of 428.63 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID142913141
Molecular FormulaC24H40N6O
Molecular Weight428.63 g/mol
Exact Mass428.33
IUPAC Name(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(CC3CCCNC3)C(C)C2)CC1
InChIInChI=1S/C24H40N6O/c1-18-15-30(13-12-29(18)16-21-6-5-9-25-14-21)24(4)7-10-28(11-8-24)23(31)22-19(2)26-17-27-20(22)3/h17-18,21,25H,5-16H2,1-4H3
InChIKeyQHNNOHXNQOLBFE-UHFFFAOYSA-N
XLogP2.09
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.63
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 142913141) is (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone is Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(CC3CCCNC3)C(C)C2)CC1.
What is the InChIKey of (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is QHNNOHXNQOLBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N6O/c1-18-15-30(13-12-29(18)16-21-6-5-9-25-14-21)24(4)7-10-28(11-8-24)23(31)22-19(2)26-17-27-20(22)3/h17-18,21,25H,5-16H2,1-4H3.
What are the key properties of (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone?
(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 428.63 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 142913141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).