1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one

C20H31N5O2 — CID 146070962

IUPAC1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)N1CC(c2nc(C3CC3)n[nH]2)C2(CCCC2)C1
InChIInChI=1S/C20H31N5O2/c26-17(5-8-24-9-11-27-12-10-24)25-13-16(20(14-25)6-1-2-7-20)19-21-18(22-23-19)15-3-4-15/h15-16H,1-14H2,(H,21,22,23)
InChIKeyRIKHYKMYUAVIKL-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.89
Rot. Bonds5

About 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one

1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 146070962) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID146070962
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)N1CC(c2nc(C3CC3)n[nH]2)C2(CCCC2)C1
InChIInChI=1S/C20H31N5O2/c26-17(5-8-24-9-11-27-12-10-24)25-13-16(20(14-25)6-1-2-7-20)19-21-18(22-23-19)15-3-4-15/h15-16H,1-14H2,(H,21,22,23)
InChIKeyRIKHYKMYUAVIKL-UHFFFAOYSA-N
XLogP1.89
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 146070358
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-(oxan-4-yl)-2-azaspiro[4.4]nonane
CID 146070347
1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(3-methoxyphenyl)ethanone
CID 146070323
4-[[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 146070360
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-[(3,4,5-trimethoxyphenyl)methyl]-2-azaspiro[4.4]nonane
CID 146070335
3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579670
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422617
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid
CID 154919267
3-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982627
3-cyclopentyl-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 62906735
3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 110256583

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one (CID 146070962) is 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one is O=C(CCN1CCOCC1)N1CC(c2nc(C3CC3)n[nH]2)C2(CCCC2)C1.
What is the InChIKey of 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is RIKHYKMYUAVIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c26-17(5-8-24-9-11-27-12-10-24)25-13-16(20(14-25)6-1-2-7-20)19-21-18(22-23-19)15-3-4-15/h15-16H,1-14H2,(H,21,22,23).
What are the key properties of 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one?
1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 373.50 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 146070962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).