6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one

C18H25N5O2 — CID 134073025

IUPAC6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2ccccc2)CC12CCN(C(=O)C1CCNN1)C2
InChIInChI=1S/C18H25N5O2/c1-21-11-16(24)23(14-5-3-2-4-6-14)13-18(21)8-10-22(12-18)17(25)15-7-9-19-20-15/h2-6,15,19-20H,7-13H2,1H3
InChIKeyQQWKQQRBNIAKQG-UHFFFAOYSA-N
MW343.43 g/mol
LogP-0.20
Rot. Bonds2

About 6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one

6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 134073025) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID134073025
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2ccccc2)CC12CCN(C(=O)C1CCNN1)C2
InChIInChI=1S/C18H25N5O2/c1-21-11-16(24)23(14-5-3-2-4-6-14)13-18(21)8-10-22(12-18)17(25)15-7-9-19-20-15/h2-6,15,19-20H,7-13H2,1H3
InChIKeyQQWKQQRBNIAKQG-UHFFFAOYSA-N
XLogP-0.20
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131638275
2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131696189
N-cyclopentyl-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131649936
6-methyl-9-phenyl-2-(quinoline-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131641720
N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131655098
7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 134073213
2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131662037
2-(furan-2-carbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155862799
2-(2,2-dimethylpropanoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 155875816
6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131648514
6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 171696056
6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 134070557

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 134073025) is 6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2ccccc2)CC12CCN(C(=O)C1CCNN1)C2.
What is the InChIKey of 6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is QQWKQQRBNIAKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-21-11-16(24)23(14-5-3-2-4-6-14)13-18(21)8-10-22(12-18)17(25)15-7-9-19-20-15/h2-6,15,19-20H,7-13H2,1H3.
What are the key properties of 6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?
6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 343.43 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 134073025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).