2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H31N5O — CID 56915579

IUPAC2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC(C)Cn1cncc1CNC(=O)C1CC2(CCNCC2)CN1C
InChIInChI=1S/C18H31N5O/c1-14(2)11-23-13-20-9-15(23)10-21-17(24)16-8-18(12-22(16)3)4-6-19-7-5-18/h9,13-14,16,19H,4-8,10-12H2,1-3H3,(H,21,24)
InChIKeyVSHPTHXTHFVGIN-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.23
Rot. Bonds5

About 2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56915579) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56915579
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC(C)Cn1cncc1CNC(=O)C1CC2(CCNCC2)CN1C
InChIInChI=1S/C18H31N5O/c1-14(2)11-23-13-20-9-15(23)10-21-17(24)16-8-18(12-22(16)3)4-6-19-7-5-18/h9,13-14,16,19H,4-8,10-12H2,1-3H3,(H,21,24)
InChIKeyVSHPTHXTHFVGIN-UHFFFAOYSA-N
XLogP1.23
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56915579) is 2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CC(C)Cn1cncc1CNC(=O)C1CC2(CCNCC2)CN1C.
What is the InChIKey of 2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is VSHPTHXTHFVGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-14(2)11-23-13-20-9-15(23)10-21-17(24)16-8-18(12-22(16)3)4-6-19-7-5-18/h9,13-14,16,19H,4-8,10-12H2,1-3H3,(H,21,24).
What are the key properties of 2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56915579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).