2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone

C15H27N3O — CID 102849661

IUPAC2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone
SMILESCN1CCC(C(=O)N2CCCC3(CCCNC3)C2)C1
InChIInChI=1S/C15H27N3O/c1-17-9-4-13(10-17)14(19)18-8-3-6-15(12-18)5-2-7-16-11-15/h13,16H,2-12H2,1H3
InChIKeyCCIJCVFAGDSMDX-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.93
Rot. Bonds1

About 2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone

2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone (PubChem CID 102849661) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone
PubChem CID102849661
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone
SMILESCN1CCC(C(=O)N2CCCC3(CCCNC3)C2)C1
InChIInChI=1S/C15H27N3O/c1-17-9-4-13(10-17)14(19)18-8-3-6-15(12-18)5-2-7-16-11-15/h13,16H,2-12H2,1H3
InChIKeyCCIJCVFAGDSMDX-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone?
The IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone (CID 102849661) is 2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for 2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for 2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone is CN1CCC(C(=O)N2CCCC3(CCCNC3)C2)C1.
What is the InChIKey of 2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone?
The InChIKey is CCIJCVFAGDSMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-17-9-4-13(10-17)14(19)18-8-3-6-15(12-18)5-2-7-16-11-15/h13,16H,2-12H2,1H3.
What are the key properties of 2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone?
2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone has a molecular weight of 265.40 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 102849661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).