1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone

C14H25N3O — CID 166117731

IUPAC1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CNC3(CCCC3)C2)CC1
InChIInChI=1S/C14H25N3O/c1-16-6-8-17(9-7-16)13(18)12-10-14(15-11-12)4-2-3-5-14/h12,15H,2-11H2,1H3
InChIKeyXABCSASCCAEHSU-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.68
Rot. Bonds1

About 1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone

1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone (PubChem CID 166117731) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone
PubChem CID166117731
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CNC3(CCCC3)C2)CC1
InChIInChI=1S/C14H25N3O/c1-16-6-8-17(9-7-16)13(18)12-10-14(15-11-12)4-2-3-5-14/h12,15H,2-11H2,1H3
InChIKeyXABCSASCCAEHSU-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
1-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 83548987
5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane
CID 166116859
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62097632
azetidin-3-yl-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 121209532
N-[(3R)-8-methyl-1,8-diazaspiro[4.5]decan-3-yl]acetamide
CID 124641834
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 112729081

Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of 1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone (CID 166117731) is 1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for 1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CNC3(CCCC3)C2)CC1.
What is the InChIKey of 1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is XABCSASCCAEHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-16-6-8-17(9-7-16)13(18)12-10-14(15-11-12)4-2-3-5-14/h12,15H,2-11H2,1H3.
What are the key properties of 1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone?
1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone has a molecular weight of 251.37 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 166117731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).