2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride

C16H30Cl2N4O — CID 68664933

IUPAC2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride
SMILESCC1=NC2(CCCN(C3CCNCC3)C2)C(=O)N1C(C)C.Cl.Cl
InChIInChI=1S/C16H28N4O.2ClH/c1-12(2)20-13(3)18-16(15(20)21)7-4-10-19(11-16)14-5-8-17-9-6-14;;/h12,14,17H,4-11H2,1-3H3;2*1H
InChIKeyFNXIZUICQIAOTB-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.09
Rot. Bonds2

About 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride

2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride (PubChem CID 68664933) has the molecular formula C16H30Cl2N4O and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride.

Molecular Properties

Compound Name2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride
PubChem CID68664933
Molecular FormulaC16H30Cl2N4O
Molecular Weight365.35 g/mol
Exact Mass364.18
IUPAC Name2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride
SMILESCC1=NC2(CCCN(C3CCNCC3)C2)C(=O)N1C(C)C.Cl.Cl
InChIInChI=1S/C16H28N4O.2ClH/c1-12(2)20-13(3)18-16(15(20)21)7-4-10-19(11-16)14-5-8-17-9-6-14;;/h12,14,17H,4-11H2,1-3H3;2*1H
InChIKeyFNXIZUICQIAOTB-UHFFFAOYSA-N
XLogP2.09
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride?
The IUPAC name of 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride (CID 68664933) is 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride.
What is the SMILES notation for 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride?
The canonical SMILES for 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride is CC1=NC2(CCCN(C3CCNCC3)C2)C(=O)N1C(C)C.Cl.Cl.
What is the InChIKey of 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride?
The InChIKey is FNXIZUICQIAOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.2ClH/c1-12(2)20-13(3)18-16(15(20)21)7-4-10-19(11-16)14-5-8-17-9-6-14;;/h12,14,17H,4-11H2,1-3H3;2*1H.
What are the key properties of 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride?
2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride has a molecular weight of 365.35 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride is sourced from PubChem (CID 68664933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).