1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride

C17H34Cl2N4O — CID 154888181

IUPAC1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCCN1CCN(CC(=O)N2CCC3(CCNCC3)CC2)CC1.Cl.Cl
InChIInChI=1S/C17H32N4O.2ClH/c1-2-19-11-13-20(14-12-19)15-16(22)21-9-5-17(6-10-21)3-7-18-8-4-17;;/h18H,2-15H2,1H3;2*1H
InChIKeyQVBZQFPOHFBPPT-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.46
Rot. Bonds3

About 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride

1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride (PubChem CID 154888181) has the molecular formula C17H34Cl2N4O and a molecular weight of 381.39 g/mol. Its IUPAC name is 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
PubChem CID154888181
Molecular FormulaC17H34Cl2N4O
Molecular Weight381.39 g/mol
Exact Mass380.21
IUPAC Name1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCCN1CCN(CC(=O)N2CCC3(CCNCC3)CC2)CC1.Cl.Cl
InChIInChI=1S/C17H32N4O.2ClH/c1-2-19-11-13-20(14-12-19)15-16(22)21-9-5-17(6-10-21)3-7-18-8-4-17;;/h18H,2-15H2,1H3;2*1H
InChIKeyQVBZQFPOHFBPPT-UHFFFAOYSA-N
XLogP1.46
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride (CID 154888181) is 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride is CCN1CCN(CC(=O)N2CCC3(CCNCC3)CC2)CC1.Cl.Cl.
What is the InChIKey of 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride?
The InChIKey is QVBZQFPOHFBPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O.2ClH/c1-2-19-11-13-20(14-12-19)15-16(22)21-9-5-17(6-10-21)3-7-18-8-4-17;;/h18H,2-15H2,1H3;2*1H.
What are the key properties of 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride?
1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride has a molecular weight of 381.39 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 154888181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).