(4-methylpiperazin-1-yl)-[6-(1-methylpiperidin-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone

C19H34N4O — CID 25118122

IUPAC(4-methylpiperazin-1-yl)-[6-(1-methylpiperidin-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone
SMILESCN1CCC(N2CCC3(CC2)CC3C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C19H34N4O/c1-20-7-3-16(4-8-20)22-9-5-19(6-10-22)15-17(19)18(24)23-13-11-21(2)12-14-23/h16-17H,3-15H2,1-2H3
InChIKeyFUCAPUQDZOMKDB-UHFFFAOYSA-N
MW334.51 g/mol
LogP0.96
Rot. Bonds2

About (4-methylpiperazin-1-yl)-[6-(1-methylpiperidin-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone

(4-methylpiperazin-1-yl)-[6-(1-methylpiperidin-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone (PubChem CID 25118122) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[6-(1-methylpiperidin-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[6-(1-methylpiperidin-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone
PubChem CID25118122
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name(4-methylpiperazin-1-yl)-[6-(1-methylpiperidin-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone
SMILESCN1CCC(N2CCC3(CC2)CC3C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C19H34N4O/c1-20-7-3-16(4-8-20)22-9-5-19(6-10-22)15-17(19)18(24)23-13-11-21(2)12-14-23/h16-17H,3-15H2,1-2H3
InChIKeyFUCAPUQDZOMKDB-UHFFFAOYSA-N
XLogP0.96
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[6-(1-methylpiperidin-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[6-(1-methylpiperidin-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone (CID 25118122) is (4-methylpiperazin-1-yl)-[6-(1-methylpiperidin-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[6-(1-methylpiperidin-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[6-(1-methylpiperidin-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone is CN1CCC(N2CCC3(CC2)CC3C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[6-(1-methylpiperidin-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone?
The InChIKey is FUCAPUQDZOMKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-20-7-3-16(4-8-20)22-9-5-19(6-10-22)15-17(19)18(24)23-13-11-21(2)12-14-23/h16-17H,3-15H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[6-(1-methylpiperidin-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone?
(4-methylpiperazin-1-yl)-[6-(1-methylpiperidin-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone has a molecular weight of 334.51 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[6-(1-methylpiperidin-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone is sourced from PubChem (CID 25118122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).