3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C22H30N4O3 — CID 110085211

IUPAC3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1
InChIInChI=1S/C22H30N4O3/c1-17(27)25-11-7-19(8-12-25)16-26-20(28)22(23-21(26)29)9-13-24(14-10-22)15-18-5-3-2-4-6-18/h2-6,19H,7-16H2,1H3,(H,23,29)
InChIKeyKWNGDNARXQKJEH-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.83
Rot. Bonds4

About 3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110085211) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110085211
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1
InChIInChI=1S/C22H30N4O3/c1-17(27)25-11-7-19(8-12-25)16-26-20(28)22(23-21(26)29)9-13-24(14-10-22)15-18-5-3-2-4-6-18/h2-6,19H,7-16H2,1H3,(H,23,29)
InChIKeyKWNGDNARXQKJEH-UHFFFAOYSA-N
XLogP1.83
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010
8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084151
3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103599854
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide
CID 16896726
3-[[1-(2-methyl-3-pyrazol-1-ylpropanoyl)piperidin-4-yl]methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110248328
N-[2-[3-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 110084309
8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 167995797
8-benzyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084171
3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110075843
8-[2-(4-benzylpiperidin-1-yl)acetyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46978311
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 110284785
8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084159

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110085211) is 3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1.
What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is KWNGDNARXQKJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-17(27)25-11-7-19(8-12-25)16-26-20(28)22(23-21(26)29)9-13-24(14-10-22)15-18-5-3-2-4-6-18/h2-6,19H,7-16H2,1H3,(H,23,29).
What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 398.51 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110085211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).