2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C19H32N4O3 — CID 72849472

IUPAC2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCN(C(=O)N2CCC3(CCCN(C4CCOCC4)C3=O)C2)CC1
InChIInChI=1S/C19H32N4O3/c1-20-9-11-21(12-10-20)18(25)22-8-6-19(15-22)5-2-7-23(17(19)24)16-3-13-26-14-4-16/h16H,2-15H2,1H3
InChIKeyHIXJRUCIKIXCDD-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.85
Rot. Bonds1

About 2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72849472) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72849472
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCN(C(=O)N2CCC3(CCCN(C4CCOCC4)C3=O)C2)CC1
InChIInChI=1S/C19H32N4O3/c1-20-9-11-21(12-10-20)18(25)22-8-6-19(15-22)5-2-7-23(17(19)24)16-3-13-26-14-4-16/h16H,2-15H2,1H3
InChIKeyHIXJRUCIKIXCDD-UHFFFAOYSA-N
XLogP0.85
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

[9-(Oxan-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 76314723
[8-(Oxan-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 76329183
7-Cyclopentyl-2-[(4-methylpiperazin-1-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918288
7-(2,2-dimethylpropyl)-2-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 45186740
7-Isopropyl-2-[(4-methylpiperazin-1-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72860001
N-cyclohexyl-6-oxo-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 72861074
7-Cyclohexyl-2-[(4-methylpiperazin-1-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72865312
2-(4-morpholinylcarbonyl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72888541
7-(2-Methoxyethyl)-2-[(4-methyl-1-piperazinyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72903714
(5R)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97113300
(5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97113301
(5R)-2-(4-methylpiperazine-1-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97118655

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72849472) is 2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is CN1CCN(C(=O)N2CCC3(CCCN(C4CCOCC4)C3=O)C2)CC1.
What is the InChIKey of 2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HIXJRUCIKIXCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-20-9-11-21(12-10-20)18(25)22-8-6-19(15-22)5-2-7-23(17(19)24)16-3-13-26-14-4-16/h16H,2-15H2,1H3.
What are the key properties of 2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 364.49 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72849472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).