1-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one

C16H27N3O2 — CID 110204003

IUPAC1-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one
SMILESCC(C)N1C(=O)C2(CCCC2)C1C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H27N3O2/c1-12(2)19-13(16(15(19)21)6-4-5-7-16)14(20)18-10-8-17(3)9-11-18/h12-13H,4-11H2,1-3H3
InChIKeyCLESWBXYPWIJQN-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.94
Rot. Bonds2

About 1-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one

1-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one (PubChem CID 110204003) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name1-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one
PubChem CID110204003
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one
SMILESCC(C)N1C(=O)C2(CCCC2)C1C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H27N3O2/c1-12(2)19-13(16(15(19)21)6-4-5-7-16)14(20)18-10-8-17(3)9-11-18/h12-13H,4-11H2,1-3H3
InChIKeyCLESWBXYPWIJQN-UHFFFAOYSA-N
XLogP0.94
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N~1~,N~1~-Diethyl-2-isopropyl-3-oxo-2-azaspiro[3.4]octane-1-carboxamide
CID 110204009
3-Oxo-2-(propan-2-YL)-N-propyl-2-azaspiro[3.4]octane-1-carboxamide
CID 110204012
1-(Piperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.5]nonan-3-one
CID 110204021
N-(cyclohexylmethyl)-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
CID 124053886
3-(4-Cyclohexylpiperazine-1-carbonyl)-2-(propan-2-YL)-2-azaspiro[3.4]octan-1-one
CID 124053877
N-(2-{[1,4'-Bipiperidin]-1'-YL}ethyl)-3-oxo-2-(propan-2-YL)-2-azaspiro[3.4]octane-1-carboxamide
CID 91912860
N-Ethyl-3-oxo-2-(propan-2-YL)-2-azaspiro[3.4]octane-1-carboxamide
CID 110203997
N-cyclohexyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
CID 110204000
N-Cyclopentyl-3-oxo-2-(propan-2-YL)-2-azaspiro[3.4]octane-1-carboxamide
CID 110204004
N-(2-methylpropyl)-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
CID 110204006
3-(4-Methylpiperidine-1-carbonyl)-2-(propan-2-YL)-2-azaspiro[3.4]octan-1-one
CID 110204007
2-(Propan-2-YL)-3-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-1-one
CID 110204008

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one?
The IUPAC name of 1-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one (CID 110204003) is 1-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one.
What is the SMILES notation for 1-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one?
The canonical SMILES for 1-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one is CC(C)N1C(=O)C2(CCCC2)C1C(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one?
The InChIKey is CLESWBXYPWIJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)19-13(16(15(19)21)6-4-5-7-16)14(20)18-10-8-17(3)9-11-18/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one?
1-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one has a molecular weight of 293.41 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one is sourced from PubChem (CID 110204003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).