8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one

C18H24N6O — CID 130202601

IUPAC8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(Cc1cn[nH]n1)C(=O)N2
InChIInChI=1S/C18H24N6O/c1-19-18(14-5-3-2-4-6-14)9-7-17(8-10-18)13-24(16(25)21-17)12-15-11-20-23-22-15/h2-6,11,19H,7-10,12-13H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyLHAVUWZUVODJQQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.76
Rot. Bonds4

About 8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one

8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202601) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202601
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(Cc1cn[nH]n1)C(=O)N2
InChIInChI=1S/C18H24N6O/c1-19-18(14-5-3-2-4-6-14)9-7-17(8-10-18)13-24(16(25)21-17)12-15-11-20-23-22-15/h2-6,11,19H,7-10,12-13H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyLHAVUWZUVODJQQ-UHFFFAOYSA-N
XLogP1.76
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one (CID 130202601) is 8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one is CNC1(c2ccccc2)CCC2(CC1)CN(Cc1cn[nH]n1)C(=O)N2.
What is the InChIKey of 8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is LHAVUWZUVODJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-19-18(14-5-3-2-4-6-14)9-7-17(8-10-18)13-24(16(25)21-17)12-15-11-20-23-22-15/h2-6,11,19H,7-10,12-13H2,1H3,(H,21,25)(H,20,22,23).
What are the key properties of 8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one?
8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 340.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).