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

C21H34N4O2 — CID 70772859

IUPAC2-(4-hydroxycyclohexyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(CCCn3ccnc3)CC2)CN1C1CCC(O)CC1
InChIInChI=1S/C21H34N4O2/c26-19-4-2-18(3-5-19)25-16-21(7-6-20(25)27)8-13-23(14-9-21)11-1-12-24-15-10-22-17-24/h10,15,17-19,26H,1-9,11-14,16H2
InChIKeyAREHKXCAYDSNOU-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.28
Rot. Bonds5

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

2-(4-hydroxycyclohexyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70772859) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70772859
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name2-(4-hydroxycyclohexyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(CCCn3ccnc3)CC2)CN1C1CCC(O)CC1
InChIInChI=1S/C21H34N4O2/c26-19-4-2-18(3-5-19)25-16-21(7-6-20(25)27)8-13-23(14-9-21)11-1-12-24-15-10-22-17-24/h10,15,17-19,26H,1-9,11-14,16H2
InChIKeyAREHKXCAYDSNOU-UHFFFAOYSA-N
XLogP2.28
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.28
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-(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
(4aS*,8aR*)-1-(4-hydroxybutyl)-6-[(1-methyl-1H-imidazol-2-yl)methyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56901192
1-[3-(2-Hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one
CID 62357947
2-(trans-4-hydroxycyclohexyl)-9-[2-(1H-imidazol-1-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70707010
2-(2-hydroxyethyl)-9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70714278
9-(3-Imidazol-1-ylpropyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70715009
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(4-hydroxycyclohexyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70772859) is 2-(4-hydroxycyclohexyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(CCCn3ccnc3)CC2)CN1C1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AREHKXCAYDSNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c26-19-4-2-18(3-5-19)25-16-21(7-6-20(25)27)8-13-23(14-9-21)11-1-12-24-15-10-22-17-24/h10,15,17-19,26H,1-9,11-14,16H2.
What are the key properties of 2-(4-hydroxycyclohexyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(4-hydroxycyclohexyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 374.53 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70772859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).