10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane

C20H30N2O2 — CID 118746958

IUPAC10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1ccc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)cc1
InChIInChI=1S/C20H30N2O2/c1-2-4-18(5-3-1)14-21-10-13-24-17-20(15-21)8-9-22(16-20)19-6-11-23-12-7-19/h1-5,19H,6-17H2
InChIKeyIOHSOHQYSKYDPL-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.39
Rot. Bonds3

About 10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane

10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118746958) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118746958
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1ccc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)cc1
InChIInChI=1S/C20H30N2O2/c1-2-4-18(5-3-1)14-21-10-13-24-17-20(15-21)8-9-22(16-20)19-6-11-23-12-7-19/h1-5,19H,6-17H2
InChIKeyIOHSOHQYSKYDPL-UHFFFAOYSA-N
XLogP2.39
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-Methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methyl]benzonitrile
CID 118745672
2-[(3-Fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118745930
8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118746817
10-[(3-Fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746844
10-[(3-Methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746846
4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine
CID 59079684
10-[(3-Fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118746843
10-Benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118746957
11-(Cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134074120
4-[2-[(2S)-2-(3,4-difluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-oxazepane
CID 164632844
4-Benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane
CID 434339
1-Benzyl-6-methyl-3,4-epoxypiperidine
CID 12143411

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118746958) is 10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane is c1ccc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)cc1.
What is the InChIKey of 10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is IOHSOHQYSKYDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-4-18(5-3-1)14-21-10-13-24-17-20(15-21)8-9-22(16-20)19-6-11-23-12-7-19/h1-5,19H,6-17H2.
What are the key properties of 10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 330.47 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118746958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).