2-(4-hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one

C18H26N4O2 — CID 16739687

IUPAC2-(4-hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCN(c1cnccn1)CC2
InChIInChI=1S/C18H26N4O2/c23-15-3-1-14(2-4-15)22-12-7-18(17(22)24)5-10-21(11-6-18)16-13-19-8-9-20-16/h8-9,13-15,23H,1-7,10-12H2
InChIKeyXQFKLBXRZQZNIC-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.60
Rot. Bonds2

About 2-(4-hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one

2-(4-hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 16739687) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID16739687
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-(4-hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCN(c1cnccn1)CC2
InChIInChI=1S/C18H26N4O2/c23-15-3-1-14(2-4-15)22-12-7-18(17(22)24)5-10-21(11-6-18)16-13-19-8-9-20-16/h8-9,13-15,23H,1-7,10-12H2
InChIKeyXQFKLBXRZQZNIC-UHFFFAOYSA-N
XLogP1.60
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-Hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile
CID 16739627
8-(6-Chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
CID 16739715
8-(3,6-Dimethylpyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
CID 16739716
(5R)-2-(oxan-4-yl)-9-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 141145679
8-(6-Chloropyrazin-2-yl)-2-[(4-hydroxycyclohexyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 149484133
2-(trans-4-hydroxycyclohexyl)-9-[2-(1H-imidazol-1-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70707010
9-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-(trans-4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70756722
2-(trans-4-hydroxycyclohexyl)-9-[3-(1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70772859
2-(trans-4-hydroxycyclohexyl)-9-[(1-propyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72852031
2-(2-pyrazinyl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72858882
(5R)-7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97118179
(5S)-7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97118180

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(4-hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one (CID 16739687) is 2-(4-hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CCC12CCN(c1cnccn1)CC2.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is XQFKLBXRZQZNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-15-3-1-14(2-4-15)22-12-7-18(17(22)24)5-10-21(11-6-18)16-13-19-8-9-20-16/h8-9,13-15,23H,1-7,10-12H2.
What are the key properties of 2-(4-hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
2-(4-hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 330.43 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 16739687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).