10-methyl-3-(3-piperazin-1-ylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one

C18H32N4O2 — CID 56711158

IUPAC10-methyl-3-(3-piperazin-1-ylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CCN(C(=O)CCN1CCNCC1)CC2
InChIInChI=1S/C18H32N4O2/c1-20-11-5-18(4-2-16(20)23)6-12-22(13-7-18)17(24)3-10-21-14-8-19-9-15-21/h19H,2-15H2,1H3
InChIKeyIQTASHYMNALZDT-UHFFFAOYSA-N
MW336.48 g/mol
LogP0.53
Rot. Bonds3

About 10-methyl-3-(3-piperazin-1-ylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one

10-methyl-3-(3-piperazin-1-ylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56711158) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 10-methyl-3-(3-piperazin-1-ylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-methyl-3-(3-piperazin-1-ylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56711158
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name10-methyl-3-(3-piperazin-1-ylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CCN(C(=O)CCN1CCNCC1)CC2
InChIInChI=1S/C18H32N4O2/c1-20-11-5-18(4-2-16(20)23)6-12-22(13-7-18)17(24)3-10-21-14-8-19-9-15-21/h19H,2-15H2,1H3
InChIKeyIQTASHYMNALZDT-UHFFFAOYSA-N
XLogP0.53
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-(3-piperazin-1-ylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-methyl-3-(3-piperazin-1-ylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one (CID 56711158) is 10-methyl-3-(3-piperazin-1-ylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-methyl-3-(3-piperazin-1-ylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-methyl-3-(3-piperazin-1-ylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one is CN1CCC2(CCC1=O)CCN(C(=O)CCN1CCNCC1)CC2.
What is the InChIKey of 10-methyl-3-(3-piperazin-1-ylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is IQTASHYMNALZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-20-11-5-18(4-2-16(20)23)6-12-22(13-7-18)17(24)3-10-21-14-8-19-9-15-21/h19H,2-15H2,1H3.
What are the key properties of 10-methyl-3-(3-piperazin-1-ylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one?
10-methyl-3-(3-piperazin-1-ylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 336.48 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-(3-piperazin-1-ylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56711158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).