2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone

C16H23N3O2 — CID 3234861

IUPAC2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C16H23N3O2/c1-21-11-15(20)19-9-4-6-16(13-19)7-10-18(12-16)14-5-2-3-8-17-14/h2-3,5,8H,4,6-7,9-13H2,1H3/t16-/m0/s1
InChIKeyZZDAVRATEJNMKZ-INIZCTEOSA-N
MW289.38 g/mol
LogP1.55
Rot. Bonds3

About 2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone

2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone (PubChem CID 3234861) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
PubChem CID3234861
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C16H23N3O2/c1-21-11-15(20)19-9-4-6-16(13-19)7-10-18(12-16)14-5-2-3-8-17-14/h2-3,5,8H,4,6-7,9-13H2,1H3/t16-/m0/s1
InChIKeyZZDAVRATEJNMKZ-INIZCTEOSA-N
XLogP1.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone (CID 3234861) is 2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone is COCC(=O)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1.
What is the InChIKey of 2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The InChIKey is ZZDAVRATEJNMKZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-21-11-15(20)19-9-4-6-16(13-19)7-10-18(12-16)14-5-2-3-8-17-14/h2-3,5,8H,4,6-7,9-13H2,1H3/t16-/m0/s1.
What are the key properties of 2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone has a molecular weight of 289.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone is sourced from PubChem (CID 3234861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).