oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C19H29N5O2 — CID 122343062

IUPACoxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C19H29N5O2/c25-19(16-4-12-26-13-5-16)24-10-8-23(9-11-24)18-14-17(20-15-21-18)22-6-2-1-3-7-22/h14-16H,1-13H2
InChIKeyHEVXWHQWNGNRCU-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.54
Rot. Bonds3

About oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122343062) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122343062
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Nameoxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C19H29N5O2/c25-19(16-4-12-26-13-5-16)24-10-8-23(9-11-24)18-14-17(20-15-21-18)22-6-2-1-3-7-22/h14-16H,1-13H2
InChIKeyHEVXWHQWNGNRCU-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxan-4-yl)methanone
CID 122337513
oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334392
cyclopentyl-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343339
cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755282
oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337280
cyclopropyl-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 71800031
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 53170415
[4-(5-chloropyrimidin-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 138386426
cyclopropyl-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133498837
cis-(1R,3S)-2,2-dimethyl-3-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066086
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516549

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122343062) is oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is O=C(C1CCOCC1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1.
What is the InChIKey of oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is HEVXWHQWNGNRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c25-19(16-4-12-26-13-5-16)24-10-8-23(9-11-24)18-14-17(20-15-21-18)22-6-2-1-3-7-22/h14-16H,1-13H2.
What are the key properties of oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 359.47 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122343062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).