1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one

C16H27N3O4 — CID 172611720

IUPAC1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1NCCN(CC(=O)N2CCC3(CC2)COO3)C1=O
InChIInChI=1S/C16H27N3O4/c1-12(2)9-13-15(21)19(8-5-17-13)10-14(20)18-6-3-16(4-7-18)11-22-23-16/h12-13,17H,3-11H2,1-2H3
InChIKeyLCTIGFGFLZTEAA-UHFFFAOYSA-N
MW325.41 g/mol
LogP0.16
Rot. Bonds4

About 1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one

1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one (PubChem CID 172611720) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one
PubChem CID172611720
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1NCCN(CC(=O)N2CCC3(CC2)COO3)C1=O
InChIInChI=1S/C16H27N3O4/c1-12(2)9-13-15(21)19(8-5-17-13)10-14(20)18-6-3-16(4-7-18)11-22-23-16/h12-13,17H,3-11H2,1-2H3
InChIKeyLCTIGFGFLZTEAA-UHFFFAOYSA-N
XLogP0.16
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one (CID 172611720) is 1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one is CC(C)CC1NCCN(CC(=O)N2CCC3(CC2)COO3)C1=O.
What is the InChIKey of 1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is LCTIGFGFLZTEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-12(2)9-13-15(21)19(8-5-17-13)10-14(20)18-6-3-16(4-7-18)11-22-23-16/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one?
1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 325.41 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 172611720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).