cyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

C21H37N3O2 — CID 164635363

IUPACcyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCN1CC2(CCN(C(=O)C3CCCCC3)CC2)C[C@@H]1CN1CCOCC1
InChIInChI=1S/C21H37N3O2/c1-22-17-21(15-19(22)16-23-11-13-26-14-12-23)7-9-24(10-8-21)20(25)18-5-3-2-4-6-18/h18-19H,2-17H2,1H3/t19-/m1/s1
InChIKeyUJGPEDVEINTQRL-LJQANCHMSA-N
MW363.55 g/mol
LogP2.21
Rot. Bonds3

About cyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

cyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 164635363) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is cyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID164635363
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC Namecyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCN1CC2(CCN(C(=O)C3CCCCC3)CC2)C[C@@H]1CN1CCOCC1
InChIInChI=1S/C21H37N3O2/c1-22-17-21(15-19(22)16-23-11-13-26-14-12-23)7-9-24(10-8-21)20(25)18-5-3-2-4-6-18/h18-19H,2-17H2,1H3/t19-/m1/s1
InChIKeyUJGPEDVEINTQRL-LJQANCHMSA-N
XLogP2.21
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of cyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 164635363) is cyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for cyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is CN1CC2(CCN(C(=O)C3CCCCC3)CC2)C[C@@H]1CN1CCOCC1.
What is the InChIKey of cyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is UJGPEDVEINTQRL-LJQANCHMSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-22-17-21(15-19(22)16-23-11-13-26-14-12-23)7-9-24(10-8-21)20(25)18-5-3-2-4-6-18/h18-19H,2-17H2,1H3/t19-/m1/s1.
What are the key properties of cyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
cyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 363.55 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 164635363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).