1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone

C18H24N2O3 — CID 154869978

IUPAC1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone
SMILESO=C(CC1(O)CCOC1)N1CC2(CN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H24N2O3/c21-16(8-18(22)6-7-23-14-18)20-12-17(13-20)10-19(11-17)9-15-4-2-1-3-5-15/h1-5,22H,6-14H2
InChIKeyBEYQKWMBAUJRDZ-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.87
Rot. Bonds4

About 1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone

1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone (PubChem CID 154869978) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone
PubChem CID154869978
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone
SMILESO=C(CC1(O)CCOC1)N1CC2(CN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H24N2O3/c21-16(8-18(22)6-7-23-14-18)20-12-17(13-20)10-19(11-17)9-15-4-2-1-3-5-15/h1-5,22H,6-14H2
InChIKeyBEYQKWMBAUJRDZ-UHFFFAOYSA-N
XLogP0.87
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone with MolForge

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Related Compounds

3-benzyloxolan-3-ol
CID 63332039
2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 125170778
2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane
CID 138976884
3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol
CID 103904817
2-(1-hydroxycyclohexyl)-1-(6-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
CID 136542893
1-(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
CID 138998010
[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 62270720
N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848060
[(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 98778276
1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea
CID 146134068
3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol
CID 65145520
3-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one
CID 91659823

Frequently Asked Questions

What is the IUPAC name of 1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone?
The IUPAC name of 1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone (CID 154869978) is 1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone.
What is the SMILES notation for 1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone?
The canonical SMILES for 1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone is O=C(CC1(O)CCOC1)N1CC2(CN(Cc3ccccc3)C2)C1.
What is the InChIKey of 1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone?
The InChIKey is BEYQKWMBAUJRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-16(8-18(22)6-7-23-14-18)20-12-17(13-20)10-19(11-17)9-15-4-2-1-3-5-15/h1-5,22H,6-14H2.
What are the key properties of 1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone?
1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone has a molecular weight of 316.40 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(3-hydroxyoxolan-3-yl)ethanone is sourced from PubChem (CID 154869978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).