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

C14H24N4O2 — CID 72937627

IUPAC2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCN(C(=O)N2CCC3(CCCNC3=O)C2)CC1
InChIInChI=1S/C14H24N4O2/c1-16-7-9-17(10-8-16)13(20)18-6-4-14(11-18)3-2-5-15-12(14)19/h2-11H2,1H3,(H,15,19)
InChIKeyKOFJNIHCWIUAFZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.04
Rot. Bonds

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

2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72937627) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72937627
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCN(C(=O)N2CCC3(CCCNC3=O)C2)CC1
InChIInChI=1S/C14H24N4O2/c1-16-7-9-17(10-8-16)13(20)18-6-4-14(11-18)3-2-5-15-12(14)19/h2-11H2,1H3,(H,15,19)
InChIKeyKOFJNIHCWIUAFZ-UHFFFAOYSA-N
XLogP-0.04
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97125831
2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922471
7-cyclohexyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72865312
9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896688
2-[1-(4-methylphenyl)cyclopropanecarbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72879316
7-methyl-7,10-diazaspiro[4.6]undecan-11-one
CID 115100243
(5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195518
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355
3-methyl-1-[2-oxo-2-[(5S)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-4H-quinazolin-2-one
CID 97115698
2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72896595
(5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97150140
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72937627) is 2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CN1CCN(C(=O)N2CCC3(CCCNC3=O)C2)CC1.
What is the InChIKey of 2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KOFJNIHCWIUAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-16-7-9-17(10-8-16)13(20)18-6-4-14(11-18)3-2-5-15-12(14)19/h2-11H2,1H3,(H,15,19).
What are the key properties of 2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 280.37 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72937627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).