2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C16H24N4O2 — CID 111331567

IUPAC2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CC1(O)CCCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H24N4O2/c21-14(13-16(22)5-2-1-3-6-16)19-9-11-20(12-10-19)15-17-7-4-8-18-15/h4,7-8,22H,1-3,5-6,9-13H2
InChIKeyFTEQEVDGIJLKCC-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.21
Rot. Bonds3

About 2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 111331567) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID111331567
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CC1(O)CCCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H24N4O2/c21-14(13-16(22)5-2-1-3-6-16)19-9-11-20(12-10-19)15-17-7-4-8-18-15/h4,7-8,22H,1-3,5-6,9-13H2
InChIKeyFTEQEVDGIJLKCC-UHFFFAOYSA-N
XLogP1.21
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-hydroxycyclopentyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 111430178
(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 60865819
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone
CID 111537735
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 17406006
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propane-1,3-dione
CID 108949990
N-cycloheptyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950957
N-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 111428735

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 111331567) is 2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(CC1(O)CCCCC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is FTEQEVDGIJLKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-14(13-16(22)5-2-1-3-6-16)19-9-11-20(12-10-19)15-17-7-4-8-18-15/h4,7-8,22H,1-3,5-6,9-13H2.
What are the key properties of 2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 304.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 111331567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).