1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-piperazin-1-ylpropan-1-one

C16H30N4O — CID 56863399

IUPAC1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCNCC1)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C16H30N4O/c21-15(1-10-19-13-8-18-9-14-19)20-11-4-16(5-12-20)2-6-17-7-3-16/h17-18H,1-14H2
InChIKeyBLPZOVIYAKWJTQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.27
Rot. Bonds3

About 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-piperazin-1-ylpropan-1-one

1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-piperazin-1-ylpropan-1-one (PubChem CID 56863399) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-piperazin-1-ylpropan-1-one
PubChem CID56863399
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCNCC1)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C16H30N4O/c21-15(1-10-19-13-8-18-9-14-19)20-11-4-16(5-12-20)2-6-17-7-3-16/h17-18H,1-14H2
InChIKeyBLPZOVIYAKWJTQ-UHFFFAOYSA-N
XLogP0.27
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.27
H-Bond Donors ≤ 52
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)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-piperazin-1-ylpropan-1-one (CID 56863399) is 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-piperazin-1-ylpropan-1-one is O=C(CCN1CCNCC1)N1CCC2(CCNCC2)CC1.
What is the InChIKey of 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is BLPZOVIYAKWJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c21-15(1-10-19-13-8-18-9-14-19)20-11-4-16(5-12-20)2-6-17-7-3-16/h17-18H,1-14H2.
What are the key properties of 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-piperazin-1-ylpropan-1-one?
1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 294.44 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 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)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 56863399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).