methyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate

C18H28N4O3 — CID 45191402

IUPACmethyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCCN1C(=O)CC(C(=O)OC)C12CCN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C18H28N4O3/c1-4-7-22-16(23)10-15(17(24)25-3)18(22)5-8-21(9-6-18)13-14-11-19-20(2)12-14/h11-12,15H,4-10,13H2,1-3H3
InChIKeyRFQUZCDYPKJFJO-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.19
Rot. Bonds5

About methyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 45191402) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is methyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID45191402
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Namemethyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCCN1C(=O)CC(C(=O)OC)C12CCN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C18H28N4O3/c1-4-7-22-16(23)10-15(17(24)25-3)18(22)5-8-21(9-6-18)13-14-11-19-20(2)12-14/h11-12,15H,4-10,13H2,1-3H3
InChIKeyRFQUZCDYPKJFJO-UHFFFAOYSA-N
XLogP1.19
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 45191402) is methyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate is CCCN1C(=O)CC(C(=O)OC)C12CCN(Cc1cnn(C)c1)CC2.
What is the InChIKey of methyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is RFQUZCDYPKJFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-4-7-22-16(23)10-15(17(24)25-3)18(22)5-8-21(9-6-18)13-14-11-19-20(2)12-14/h11-12,15H,4-10,13H2,1-3H3.
What are the key properties of methyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 45191402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).