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

C17H28N2O2 — CID 107415661

IUPAC3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1CCC(CN2C(=O)C3(CCCCC3)NC(=O)C2C)C1
InChIInChI=1S/C17H28N2O2/c1-12-6-7-14(10-12)11-19-13(2)15(20)18-17(16(19)21)8-4-3-5-9-17/h12-14H,3-11H2,1-2H3,(H,18,20)
InChIKeyDYQRWZHTRDTBMS-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.47
Rot. Bonds2

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

3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 107415661) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID107415661
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1CCC(CN2C(=O)C3(CCCCC3)NC(=O)C2C)C1
InChIInChI=1S/C17H28N2O2/c1-12-6-7-14(10-12)11-19-13(2)15(20)18-17(16(19)21)8-4-3-5-9-17/h12-14H,3-11H2,1-2H3,(H,18,20)
InChIKeyDYQRWZHTRDTBMS-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887432
9-(cyclohexylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886872
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
8-methyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887442
8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886104
4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 103465383
8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 113466968
8-methyl-9-(3-methylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887057
4-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64960350
9-(2-ethylhexyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885340

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 107415661) is 3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is CC1CCC(CN2C(=O)C3(CCCCC3)NC(=O)C2C)C1.
What is the InChIKey of 3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is DYQRWZHTRDTBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12-6-7-14(10-12)11-19-13(2)15(20)18-17(16(19)21)8-4-3-5-9-17/h12-14H,3-11H2,1-2H3,(H,18,20).
What are the key properties of 3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 292.42 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 107415661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).