3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone

C16H29N3O — CID 59505699

IUPAC3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C16H29N3O/c1-18-10-12-19(13-11-18)15(20)14-2-4-16(5-3-14)6-8-17-9-7-16/h14,17H,2-13H2,1H3
InChIKeyDWNJGVXPPUELBN-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.32
Rot. Bonds1

About 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone

3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone (PubChem CID 59505699) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone
PubChem CID59505699
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C16H29N3O/c1-18-10-12-19(13-11-18)15(20)14-2-4-16(5-3-14)6-8-17-9-7-16/h14,17H,2-13H2,1H3
InChIKeyDWNJGVXPPUELBN-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone (CID 59505699) is 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CCC3(CCNCC3)CC2)CC1.
What is the InChIKey of 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DWNJGVXPPUELBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-18-10-12-19(13-11-18)15(20)14-2-4-16(5-3-14)6-8-17-9-7-16/h14,17H,2-13H2,1H3.
What are the key properties of 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone?
3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone has a molecular weight of 279.43 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 59505699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).