10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one

C14H23N3O2 — CID 146625811

IUPAC10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one
SMILESCNCC(=O)N1CCC2(CC1)CC1(CNC(=O)C1)C2
InChIInChI=1S/C14H23N3O2/c1-15-7-12(19)17-4-2-13(3-5-17)8-14(9-13)6-11(18)16-10-14/h15H,2-10H2,1H3,(H,16,18)
InChIKeyGVSPUHYQEWPAOA-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.11
Rot. Bonds2

About 10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one

10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one (PubChem CID 146625811) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one.

Molecular Properties

Compound Name10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one
PubChem CID146625811
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one
SMILESCNCC(=O)N1CCC2(CC1)CC1(CNC(=O)C1)C2
InChIInChI=1S/C14H23N3O2/c1-15-7-12(19)17-4-2-13(3-5-17)8-14(9-13)6-11(18)16-10-14/h15H,2-10H2,1H3,(H,16,18)
InChIKeyGVSPUHYQEWPAOA-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one?
The IUPAC name of 10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one (CID 146625811) is 10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one.
What is the SMILES notation for 10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one?
The canonical SMILES for 10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one is CNCC(=O)N1CCC2(CC1)CC1(CNC(=O)C1)C2.
What is the InChIKey of 10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one?
The InChIKey is GVSPUHYQEWPAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-15-7-12(19)17-4-2-13(3-5-17)8-14(9-13)6-11(18)16-10-14/h15H,2-10H2,1H3,(H,16,18).
What are the key properties of 10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one?
10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one has a molecular weight of 265.36 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one is sourced from PubChem (CID 146625811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).