8-(6-chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one

C18H25ClN4O2 — CID 16739715

IUPAC8-(6-chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCN(c1cncc(Cl)n1)CC2
InChIInChI=1S/C18H25ClN4O2/c19-15-11-20-12-16(21-15)22-8-5-18(6-9-22)7-10-23(17(18)25)13-1-3-14(24)4-2-13/h11-14,24H,1-10H2
InChIKeyNSDDUQVRXURFTA-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.25
Rot. Bonds2

About 8-(6-chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one

8-(6-chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 16739715) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 8-(6-chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(6-chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID16739715
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name8-(6-chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCN(c1cncc(Cl)n1)CC2
InChIInChI=1S/C18H25ClN4O2/c19-15-11-20-12-16(21-15)22-8-5-18(6-9-22)7-10-23(17(18)25)13-1-3-14(24)4-2-13/h11-14,24H,1-10H2
InChIKeyNSDDUQVRXURFTA-UHFFFAOYSA-N
XLogP2.25
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 16739687
8-(3,6-Dimethylpyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
CID 16739716
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
[2-(2-Hydroxypropyl)pyrrolidin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 112420903

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(6-chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one (CID 16739715) is 8-(6-chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(6-chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(6-chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CCC12CCN(c1cncc(Cl)n1)CC2.
What is the InChIKey of 8-(6-chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NSDDUQVRXURFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c19-15-11-20-12-16(21-15)22-8-5-18(6-9-22)7-10-23(17(18)25)13-1-3-14(24)4-2-13/h11-14,24H,1-10H2.
What are the key properties of 8-(6-chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(6-chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 364.88 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 16739715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).