8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C14H24N4O2 — CID 9242043

IUPAC8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(CC1)NC(=O)N(CN1CCCCC1)C2=O
InChIInChI=1S/C14H24N4O2/c1-16-9-5-14(6-10-16)12(19)18(13(20)15-14)11-17-7-3-2-4-8-17/h2-11H2,1H3,(H,15,20)
InChIKeyRIYCBNURHPVNIW-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.45
Rot. Bonds2

About 8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 9242043) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID9242043
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(CC1)NC(=O)N(CN1CCCCC1)C2=O
InChIInChI=1S/C14H24N4O2/c1-16-9-5-14(6-10-16)12(19)18(13(20)15-14)11-17-7-3-2-4-8-17/h2-11H2,1H3,(H,15,20)
InChIKeyRIYCBNURHPVNIW-UHFFFAOYSA-N
XLogP0.45
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-ethylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18081564
3-(2-hydroxyethyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148756
3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24605316
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 35414438
1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperidine-4-carboxamide
CID 2516681
3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile
CID 82148650
3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 13424778
3-(2-aminobutyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148499
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 26937799
3-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 9244912
3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9172288
3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9172286

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 9242043) is 8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1CCC2(CC1)NC(=O)N(CN1CCCCC1)C2=O.
What is the InChIKey of 8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is RIYCBNURHPVNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-16-9-5-14(6-10-16)12(19)18(13(20)15-14)11-17-7-3-2-4-8-17/h2-11H2,1H3,(H,15,20).
What are the key properties of 8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 9242043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).