2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

C18H32N4O2 — CID 86283463

IUPAC2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C(=O)N1CCC2(CCC(=O)N(C)C2)CC1)N1CCN(C)CC1
InChIInChI=1S/C18H32N4O2/c1-15(21-12-10-19(2)11-13-21)17(24)22-8-6-18(7-9-22)5-4-16(23)20(3)14-18/h15H,4-14H2,1-3H3
InChIKeyXRJNXPHNFIEMDG-UHFFFAOYSA-N
MW336.48 g/mol
LogP0.48
Rot. Bonds2

About 2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 86283463) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID86283463
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C(=O)N1CCC2(CCC(=O)N(C)C2)CC1)N1CCN(C)CC1
InChIInChI=1S/C18H32N4O2/c1-15(21-12-10-19(2)11-13-21)17(24)22-8-6-18(7-9-22)5-4-16(23)20(3)14-18/h15H,4-14H2,1-3H3
InChIKeyXRJNXPHNFIEMDG-UHFFFAOYSA-N
XLogP0.48
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97133136
2-(3-imidazol-1-ylpropyl)-9-[(2S)-2-pyrrolidin-1-ylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97279786
9-(3-hydroxy-2-methylbenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72865625
2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 77092196
9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72879124
9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72935399
2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97156415
9-[(2S)-3-[ethyl(methyl)amino]-2-methylpropanoyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97112399
2-methyl-9-[2-[2-(trifluoromethyl)phenyl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72939452
2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97119810
9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72855403
2-cyclopropyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152093

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 86283463) is 2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one is CC(C(=O)N1CCC2(CCC(=O)N(C)C2)CC1)N1CCN(C)CC1.
What is the InChIKey of 2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XRJNXPHNFIEMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-15(21-12-10-19(2)11-13-21)17(24)22-8-6-18(7-9-22)5-4-16(23)20(3)14-18/h15H,4-14H2,1-3H3.
What are the key properties of 2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 336.48 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 86283463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).