9,13-diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one

C15H23N3O3 — CID 118738721

IUPAC9,13-diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCC(=O)N1CCC2(CC1)CN(C(C)=O)CC21CCNC1=O
InChIInChI=1S/C15H23N3O3/c1-11(19)17-7-4-14(5-8-17)9-18(12(2)20)10-15(14)3-6-16-13(15)21/h3-10H2,1-2H3,(H,16,21)
InChIKeyGOOHGHFNNQIIJK-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.02
Rot. Bonds

About 9,13-diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one

9,13-diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (PubChem CID 118738721) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 9,13-diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.

Molecular Properties

Compound Name9,13-diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
PubChem CID118738721
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name9,13-diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCC(=O)N1CCC2(CC1)CN(C(C)=O)CC21CCNC1=O
InChIInChI=1S/C15H23N3O3/c1-11(19)17-7-4-14(5-8-17)9-18(12(2)20)10-15(14)3-6-16-13(15)21/h3-10H2,1-2H3,(H,16,21)
InChIKeyGOOHGHFNNQIIJK-UHFFFAOYSA-N
XLogP-0.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9,13-diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The IUPAC name of 9,13-diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (CID 118738721) is 9,13-diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.
What is the SMILES notation for 9,13-diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The canonical SMILES for 9,13-diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is CC(=O)N1CCC2(CC1)CN(C(C)=O)CC21CCNC1=O.
What is the InChIKey of 9,13-diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The InChIKey is GOOHGHFNNQIIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(19)17-7-4-14(5-8-17)9-18(12(2)20)10-15(14)3-6-16-13(15)21/h3-10H2,1-2H3,(H,16,21).
What are the key properties of 9,13-diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
9,13-diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one has a molecular weight of 293.37 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,13-diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is sourced from PubChem (CID 118738721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).