2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane

C19H35N3O — CID 176720245

IUPAC2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane
SMILESCC(C)[C@H](C1CCN(CC2COC2)CC1)N1CC2(CCNC2)C1
InChIInChI=1S/C19H35N3O/c1-15(2)18(22-13-19(14-22)5-6-20-12-19)17-3-7-21(8-4-17)9-16-10-23-11-16/h15-18,20H,3-14H2,1-2H3/t18-/m1/s1
InChIKeyDWFFCCWBKXUPBF-GOSISDBHSA-N
MW321.51 g/mol
LogP1.66
Rot. Bonds5

About 2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane

2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane (PubChem CID 176720245) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane
PubChem CID176720245
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane
SMILESCC(C)[C@H](C1CCN(CC2COC2)CC1)N1CC2(CCNC2)C1
InChIInChI=1S/C19H35N3O/c1-15(2)18(22-13-19(14-22)5-6-20-12-19)17-3-7-21(8-4-17)9-16-10-23-11-16/h15-18,20H,3-14H2,1-2H3/t18-/m1/s1
InChIKeyDWFFCCWBKXUPBF-GOSISDBHSA-N
XLogP1.66
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane 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

4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane
CID 144941414
2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 58821247
2-(oxolan-3-ylmethyl)-2,8-diazaspiro[5.5]undecane
CID 102849336
2-[(2-ethyloxan-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907639
1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanamine
CID 163884377
1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
CID 176984836
8-ethyl-2,8-diazaspiro[4.5]decane
CID 46318290
2-ethyl-2,7-diazaspiro[4.4]nonane chloride
CID 53314750
1-(cyclopropylmethyl)-4-[(3-ethylpyrrolidin-3-yl)methyl]piperazine
CID 55165550
6,6-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane
CID 115100731
1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethanol;hydrochloride
CID 119931316
1-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]ethane-1,2-diol
CID 137335115

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane (CID 176720245) is 2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane is CC(C)[C@H](C1CCN(CC2COC2)CC1)N1CC2(CCNC2)C1.
What is the InChIKey of 2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane?
The InChIKey is DWFFCCWBKXUPBF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H35N3O/c1-15(2)18(22-13-19(14-22)5-6-20-12-19)17-3-7-21(8-4-17)9-16-10-23-11-16/h15-18,20H,3-14H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane?
2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane has a molecular weight of 321.51 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 176720245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).