4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H22N2O2 — CID 64887432

IUPAC4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1C(=O)NC2(CCCCC2)C(=O)N1CC1CC1
InChIInChI=1S/C14H22N2O2/c1-10-12(17)15-14(7-3-2-4-8-14)13(18)16(10)9-11-5-6-11/h10-11H,2-9H2,1H3,(H,15,17)
InChIKeyDKNBJLMXROGBEU-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.45
Rot. Bonds2

About 4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione

4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64887432) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64887432
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1C(=O)NC2(CCCCC2)C(=O)N1CC1CC1
InChIInChI=1S/C14H22N2O2/c1-10-12(17)15-14(7-3-2-4-8-14)13(18)16(10)9-11-5-6-11/h10-11H,2-9H2,1H3,(H,15,17)
InChIKeyDKNBJLMXROGBEU-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(cyclohexylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886872
3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107415661
3-methyl-4-[(2-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107420986
8-methyl-9-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886681
3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 83145037
4-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64960350
8-methyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887442
4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 103465383
9-(3-ethoxypropyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64958654
8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 113466968
9-(2-ethoxy-2-methylpropyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 114944504
8-methyl-9-(3-methylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887057

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64887432) is 4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione is CC1C(=O)NC2(CCCCC2)C(=O)N1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is DKNBJLMXROGBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-12(17)15-14(7-3-2-4-8-14)13(18)16(10)9-11-5-6-11/h10-11H,2-9H2,1H3,(H,15,17).
What are the key properties of 4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64887432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).