[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone

C18H28N4O2 — CID 98897335

IUPAC[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
SMILESCn1nccc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H28N4O2/c1-20-15(4-7-19-20)13-21-8-6-18(14-21)5-2-3-16(18)17(23)22-9-11-24-12-10-22/h4,7,16H,2-3,5-6,8-14H2,1H3/t16-,18-/m1/s1
InChIKeyPNAMMCLSYFLJBK-SJLPKXTDSA-N
MW332.45 g/mol
LogP1.27
Rot. Bonds3

About [(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone

[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone (PubChem CID 98897335) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is [(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
PubChem CID98897335
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
SMILESCn1nccc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H28N4O2/c1-20-15(4-7-19-20)13-21-8-6-18(14-21)5-2-3-16(18)17(23)22-9-11-24-12-10-22/h4,7,16H,2-3,5-6,8-14H2,1H3/t16-,18-/m1/s1
InChIKeyPNAMMCLSYFLJBK-SJLPKXTDSA-N
XLogP1.27
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone (CID 98897335) is [(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone is Cn1nccc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1.
What is the InChIKey of [(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone?
The InChIKey is PNAMMCLSYFLJBK-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-20-15(4-7-19-20)13-21-8-6-18(14-21)5-2-3-16(18)17(23)22-9-11-24-12-10-22/h4,7,16H,2-3,5-6,8-14H2,1H3/t16-,18-/m1/s1.
What are the key properties of [(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone?
[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone has a molecular weight of 332.45 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 98897335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).