(4-methoxyphenyl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone

C21H25N3O2 — CID 3233844

IUPAC(4-methoxyphenyl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@]3(CCN(c4ccccn4)C3)C2)cc1
InChIInChI=1S/C21H25N3O2/c1-26-18-8-6-17(7-9-18)20(25)24-13-4-10-21(16-24)11-14-23(15-21)19-5-2-3-12-22-19/h2-3,5-9,12H,4,10-11,13-16H2,1H3/t21-/m0/s1
InChIKeyRDBLEXHTOJNYDY-NRFANRHFSA-N
MW351.45 g/mol
LogP3.22
Rot. Bonds3

About (4-methoxyphenyl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone

(4-methoxyphenyl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3233844) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3233844
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(4-methoxyphenyl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@]3(CCN(c4ccccn4)C3)C2)cc1
InChIInChI=1S/C21H25N3O2/c1-26-18-8-6-17(7-9-18)20(25)24-13-4-10-21(16-24)11-14-23(15-21)19-5-2-3-12-22-19/h2-3,5-9,12H,4,10-11,13-16H2,1H3/t21-/m0/s1
InChIKeyRDBLEXHTOJNYDY-NRFANRHFSA-N
XLogP3.22
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3233844) is (4-methoxyphenyl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone is COc1ccc(C(=O)N2CCC[C@@]3(CCN(c4ccccn4)C3)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is RDBLEXHTOJNYDY-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-26-18-8-6-17(7-9-18)20(25)24-13-4-10-21(16-24)11-14-23(15-21)19-5-2-3-12-22-19/h2-3,5-9,12H,4,10-11,13-16H2,1H3/t21-/m0/s1.
What are the key properties of (4-methoxyphenyl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(4-methoxyphenyl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3233844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).