2-(4-hydroxycyclohexyl)-9-(2-imidazol-1-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

C20H32N4O2 — CID 70707010

IUPAC2-(4-hydroxycyclohexyl)-9-(2-imidazol-1-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(CCn3ccnc3)CC2)CN1C1CCC(O)CC1
InChIInChI=1S/C20H32N4O2/c25-18-3-1-17(2-4-18)24-15-20(6-5-19(24)26)7-10-22(11-8-20)13-14-23-12-9-21-16-23/h9,12,16-18,25H,1-8,10-11,13-15H2
InChIKeyKPDLAVIEBDIVIB-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.89
Rot. Bonds4

About 2-(4-hydroxycyclohexyl)-9-(2-imidazol-1-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(4-hydroxycyclohexyl)-9-(2-imidazol-1-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70707010) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-9-(2-imidazol-1-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-9-(2-imidazol-1-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70707010
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-(4-hydroxycyclohexyl)-9-(2-imidazol-1-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(CCn3ccnc3)CC2)CN1C1CCC(O)CC1
InChIInChI=1S/C20H32N4O2/c25-18-3-1-17(2-4-18)24-15-20(6-5-19(24)26)7-10-22(11-8-20)13-14-23-12-9-21-16-23/h9,12,16-18,25H,1-8,10-11,13-15H2
InChIKeyKPDLAVIEBDIVIB-UHFFFAOYSA-N
XLogP1.89
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

{1-[(1-isopropyl-4-piperidinyl)acetyl]-4-piperidinyl}(1-methyl-1H-imidazol-2-yl)methanol
CID 72890404
2-isopropyl-9-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72940511
2-(2-hydroxypropyl)-9-[3-(1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72930944
2-(4-Hydroxycyclohexyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 16739687
8-(6-Chloropyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
CID 16739715
1-[3-(2-Hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one
CID 62357947
2-(2-hydroxyethyl)-9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70714278
2-(3-hydroxypropyl)-9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70716908
9-[(1-Cyclopropylimidazol-2-yl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70721177
2-(2-hydroxyethyl)-8-[(1-isopropyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70731061
2-(3-hydroxypropyl)-8-[(1-methyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70733352
9-[(1-isopropyl-1H-imidazol-2-yl)methyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70749041

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-9-(2-imidazol-1-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(4-hydroxycyclohexyl)-9-(2-imidazol-1-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70707010) is 2-(4-hydroxycyclohexyl)-9-(2-imidazol-1-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-9-(2-imidazol-1-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-9-(2-imidazol-1-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(CCn3ccnc3)CC2)CN1C1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-9-(2-imidazol-1-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KPDLAVIEBDIVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c25-18-3-1-17(2-4-18)24-15-20(6-5-19(24)26)7-10-22(11-8-20)13-14-23-12-9-21-16-23/h9,12,16-18,25H,1-8,10-11,13-15H2.
What are the key properties of 2-(4-hydroxycyclohexyl)-9-(2-imidazol-1-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(4-hydroxycyclohexyl)-9-(2-imidazol-1-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 360.50 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-9-(2-imidazol-1-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70707010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).