methyl (5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate

C15H21N3O2 — CID 3233901

IUPACmethyl (5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C15H21N3O2/c1-20-14(19)18-9-4-6-15(12-18)7-10-17(11-15)13-5-2-3-8-16-13/h2-3,5,8H,4,6-7,9-12H2,1H3/t15-/m0/s1
InChIKeyVJJSCXKQTFPMRX-HNNXBMFYSA-N
MW275.35 g/mol
LogP2.14
Rot. Bonds1

About methyl (5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate

methyl (5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 3233901) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl (5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID3233901
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Namemethyl (5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C15H21N3O2/c1-20-14(19)18-9-4-6-15(12-18)7-10-17(11-15)13-5-2-3-8-16-13/h2-3,5,8H,4,6-7,9-12H2,1H3/t15-/m0/s1
InChIKeyVJJSCXKQTFPMRX-HNNXBMFYSA-N
XLogP2.14
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of methyl (5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 3233901) is methyl (5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for methyl (5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for methyl (5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate is COC(=O)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1.
What is the InChIKey of methyl (5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is VJJSCXKQTFPMRX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-20-14(19)18-9-4-6-15(12-18)7-10-17(11-15)13-5-2-3-8-16-13/h2-3,5,8H,4,6-7,9-12H2,1H3/t15-/m0/s1.
What are the key properties of methyl (5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate?
methyl (5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 3233901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).