1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one

C17H24N4O3 — CID 128950816

IUPAC1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H24N4O3/c22-15(13-21-8-4-7-18-17(21)24)19-9-11-20(12-10-19)16(23)14-5-2-1-3-6-14/h4,7-8,14H,1-3,5-6,9-13H2
InChIKeyNEQKBBTZAUKUSJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.49
Rot. Bonds3

About 1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 128950816) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID128950816
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H24N4O3/c22-15(13-21-8-4-7-18-17(21)24)19-9-11-20(12-10-19)16(23)14-5-2-1-3-6-14/h4,7-8,14H,1-3,5-6,9-13H2
InChIKeyNEQKBBTZAUKUSJ-UHFFFAOYSA-N
XLogP0.49
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]-1,4-diazepan-1-yl]acetic acid
CID 62823744
1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 63657793
1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 124997945
1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 127246140
2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid
CID 116681387
1-[2-[(4S,4aS,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 56911764
1-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
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1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one
CID 136578933
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 95403136
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 104956902
1-[2-oxo-2-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one (CID 128950816) is 1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is NEQKBBTZAUKUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-15(13-21-8-4-7-18-17(21)24)19-9-11-20(12-10-19)16(23)14-5-2-1-3-6-14/h4,7-8,14H,1-3,5-6,9-13H2.
What are the key properties of 1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 332.40 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 128950816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).