2-(4-hydroxycyclohexyl)-9-[(5-methyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H32N4O2 — CID 70748580

IUPAC2-(4-hydroxycyclohexyl)-9-[(5-methyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2CCC3(CCC(=O)N(C4CCC(O)CC4)C3)CC2)[nH]1
InChIInChI=1S/C20H32N4O2/c1-15-12-21-18(22-15)13-23-10-8-20(9-11-23)7-6-19(26)24(14-20)16-2-4-17(25)5-3-16/h12,16-17,25H,2-11,13-14H2,1H3,(H,21,22)
InChIKeyAJXCHWBKNDAFSY-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.23
Rot. Bonds3

About 2-(4-hydroxycyclohexyl)-9-[(5-methyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(4-hydroxycyclohexyl)-9-[(5-methyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70748580) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-9-[(5-methyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-9-[(5-methyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70748580
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-(4-hydroxycyclohexyl)-9-[(5-methyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2CCC3(CCC(=O)N(C4CCC(O)CC4)C3)CC2)[nH]1
InChIInChI=1S/C20H32N4O2/c1-15-12-21-18(22-15)13-23-10-8-20(9-11-23)7-6-19(26)24(14-20)16-2-4-17(25)5-3-16/h12,16-17,25H,2-11,13-14H2,1H3,(H,21,22)
InChIKeyAJXCHWBKNDAFSY-UHFFFAOYSA-N
XLogP2.23
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-9-[(5-methyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(4-hydroxycyclohexyl)-9-[(5-methyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70748580) is 2-(4-hydroxycyclohexyl)-9-[(5-methyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-9-[(5-methyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-9-[(5-methyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2CCC3(CCC(=O)N(C4CCC(O)CC4)C3)CC2)[nH]1.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-9-[(5-methyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AJXCHWBKNDAFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15-12-21-18(22-15)13-23-10-8-20(9-11-23)7-6-19(26)24(14-20)16-2-4-17(25)5-3-16/h12,16-17,25H,2-11,13-14H2,1H3,(H,21,22).
What are the key properties of 2-(4-hydroxycyclohexyl)-9-[(5-methyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(4-hydroxycyclohexyl)-9-[(5-methyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 360.50 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-9-[(5-methyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70748580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).