7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C17H30N4O3 — CID 72903714

IUPAC7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)N3CCN(C)CC3)C2)C1=O
InChIInChI=1S/C17H30N4O3/c1-18-8-10-20(11-9-18)16(23)21-7-5-17(14-21)4-3-6-19(15(17)22)12-13-24-2/h3-14H2,1-2H3
InChIKeyBACYQEBVSSULQQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP0.31
Rot. Bonds3

About 7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72903714) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72903714
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)N3CCN(C)CC3)C2)C1=O
InChIInChI=1S/C17H30N4O3/c1-18-8-10-20(11-9-18)16(23)21-7-5-17(14-21)4-3-6-19(15(17)22)12-13-24-2/h3-14H2,1-2H3
InChIKeyBACYQEBVSSULQQ-UHFFFAOYSA-N
XLogP0.31
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72903714) is 7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(C(=O)N3CCN(C)CC3)C2)C1=O.
What is the InChIKey of 7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BACYQEBVSSULQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-18-8-10-20(11-9-18)16(23)21-7-5-17(14-21)4-3-6-19(15(17)22)12-13-24-2/h3-14H2,1-2H3.
What are the key properties of 7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 338.45 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72903714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).