1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

C15H23N3O3 — CID 72920058

IUPAC1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3O)cn1
InChIInChI=1S/C15H23N3O3/c1-17-10-11(9-16-17)2-3-14(21)18-6-4-15(5-7-18)12(19)8-13(15)20/h9-10,12-13,19-20H,2-8H2,1H3/t12-,13+
InChIKeyIGMWQPQHIGQJNF-BETUJISGSA-N
MW293.37 g/mol
LogP0.09
Rot. Bonds3

About 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 72920058) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID72920058
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3O)cn1
InChIInChI=1S/C15H23N3O3/c1-17-10-11(9-16-17)2-3-14(21)18-6-4-15(5-7-18)12(19)8-13(15)20/h9-10,12-13,19-20H,2-8H2,1H3/t12-,13+
InChIKeyIGMWQPQHIGQJNF-BETUJISGSA-N
XLogP0.09
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(1-methylpyrazol-4-yl)propan-1-one (CID 72920058) is 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(1-methylpyrazol-4-yl)propan-1-one is Cn1cc(CCC(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3O)cn1.
What is the InChIKey of 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is IGMWQPQHIGQJNF-BETUJISGSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-17-10-11(9-16-17)2-3-14(21)18-6-4-15(5-7-18)12(19)8-13(15)20/h9-10,12-13,19-20H,2-8H2,1H3/t12-,13+.
What are the key properties of 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 293.37 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 72920058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).