1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one

C18H31N3O2 — CID 122141749

IUPAC1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one
SMILESCN1CCN(C(=O)CCN2CC3(CCC3)C2C2CCCO2)CC1
InChIInChI=1S/C18H31N3O2/c1-19-9-11-20(12-10-19)16(22)5-8-21-14-18(6-3-7-18)17(21)15-4-2-13-23-15/h15,17H,2-14H2,1H3
InChIKeySBVUQVKPTYFTGP-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.18
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one

1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one (PubChem CID 122141749) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one
PubChem CID122141749
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one
SMILESCN1CCN(C(=O)CCN2CC3(CCC3)C2C2CCCO2)CC1
InChIInChI=1S/C18H31N3O2/c1-19-9-11-20(12-10-19)16(22)5-8-21-14-18(6-3-7-18)17(21)15-4-2-13-23-15/h15,17H,2-14H2,1H3
InChIKeySBVUQVKPTYFTGP-UHFFFAOYSA-N
XLogP1.18
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one with MolForge

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Related Compounds

4-[[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]methyl]benzoic acid
CID 122034574
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 102852264
3-[(2S,6R)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 124841226
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one
CID 109028358
2-(1-aminocyclobutyl)-1-[(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]ethanone
CID 124701295
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 60937548
3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110611726
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one (CID 122141749) is 1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one is CN1CCN(C(=O)CCN2CC3(CCC3)C2C2CCCO2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one?
The InChIKey is SBVUQVKPTYFTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-19-9-11-20(12-10-19)16(22)5-8-21-14-18(6-3-7-18)17(21)15-4-2-13-23-15/h15,17H,2-14H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one?
1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one has a molecular weight of 321.47 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one is sourced from PubChem (CID 122141749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).