[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone

C26H35N5O2 — CID 122333244

IUPAC[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESCc1cc(N2CCCCC2)nc(N2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)n1
InChIInChI=1S/C26H35N5O2/c1-21-20-23(29-12-6-3-7-13-29)28-25(27-21)31-16-14-30(15-17-31)24(32)26(10-18-33-19-11-26)22-8-4-2-5-9-22/h2,4-5,8-9,20H,3,6-7,10-19H2,1H3
InChIKeyTUHZECPLZRCPLN-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.17
Rot. Bonds4

About [4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone

[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone (PubChem CID 122333244) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is [4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
PubChem CID122333244
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESCc1cc(N2CCCCC2)nc(N2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)n1
InChIInChI=1S/C26H35N5O2/c1-21-20-23(29-12-6-3-7-13-29)28-25(27-21)31-16-14-30(15-17-31)24(32)26(10-18-33-19-11-26)22-8-4-2-5-9-22/h2,4-5,8-9,20H,3,6-7,10-19H2,1H3
InChIKeyTUHZECPLZRCPLN-UHFFFAOYSA-N
XLogP3.17
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone with MolForge

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Related Compounds

[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122335188
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 112910193
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112922182
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 53369928
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122281212
1-[4-[6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914844
(2-methylphenyl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047604
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 121113860
1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 121031877
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-phenyloxane-4-carboxamide
CID 122293827

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The IUPAC name of [4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone (CID 122333244) is [4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for [4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for [4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone is Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)n1.
What is the InChIKey of [4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The InChIKey is TUHZECPLZRCPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-21-20-23(29-12-6-3-7-13-29)28-25(27-21)31-16-14-30(15-17-31)24(32)26(10-18-33-19-11-26)22-8-4-2-5-9-22/h2,4-5,8-9,20H,3,6-7,10-19H2,1H3.
What are the key properties of [4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone has a molecular weight of 449.60 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 122333244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).