1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one

C18H27N5O2 — CID 50950111

IUPAC1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one
SMILESO=C1CN(c2cc(N3CCOCC3)ncn2)CCN1C1CCCCC1
InChIInChI=1S/C18H27N5O2/c24-18-13-22(6-7-23(18)15-4-2-1-3-5-15)17-12-16(19-14-20-17)21-8-10-25-11-9-21/h12,14-15H,1-11,13H2
InChIKeySPEWPAUTAJPDDK-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.29
Rot. Bonds3

About 1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one

1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one (PubChem CID 50950111) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one
PubChem CID50950111
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one
SMILESO=C1CN(c2cc(N3CCOCC3)ncn2)CCN1C1CCCCC1
InChIInChI=1S/C18H27N5O2/c24-18-13-22(6-7-23(18)15-4-2-1-3-5-15)17-12-16(19-14-20-17)21-8-10-25-11-9-21/h12,14-15H,1-11,13H2
InChIKeySPEWPAUTAJPDDK-UHFFFAOYSA-N
XLogP1.29
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 155561320
(4-Methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 155563468
4-[6-(4-Acetyl-1-piperazinyl)-4-pyrimidinyl]morpholine
CID 70702860
1-Morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 75369968
4-(6-Piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112856006
[4-[2-(Diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 155511284
N-{1-[6-(Dimethylamino)-4-pyrimidinyl]-3-piperidyl}-N'-(2-methoxyethyl)urea
CID 53185787
1-(6-Chloropyrimidin-4-yl)-4-(morpholine-4-carbonyl)piperazin-2-one
CID 134787651
6-Cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
CID 134790042
4-{6-[4-(2-Ethylbutanoyl)-1-piperazinyl]-4-pyrimidinyl}morpholine
CID 45543764
1-[6-(Morpholin-4-yl)pyrimidin-4-yl]piperidin-3-amine
CID 54593077
4,6-Bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine
CID 75432307

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one (CID 50950111) is 1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one is O=C1CN(c2cc(N3CCOCC3)ncn2)CCN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one?
The InChIKey is SPEWPAUTAJPDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-18-13-22(6-7-23(18)15-4-2-1-3-5-15)17-12-16(19-14-20-17)21-8-10-25-11-9-21/h12,14-15H,1-11,13H2.
What are the key properties of 1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one?
1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one has a molecular weight of 345.45 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 50950111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).