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

C22H26N2O2 — CID 3234999

IUPAC(4-methoxyphenyl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@]3(CCN(c4ccccc4)C3)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-26-20-10-8-18(9-11-20)21(25)24-14-5-12-22(17-24)13-15-23(16-22)19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3/t22-/m0/s1
InChIKeyJRSWBCOSVSBLMN-QFIPXVFZSA-N
MW350.46 g/mol
LogP3.83
Rot. Bonds3

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

(4-methoxyphenyl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3234999) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3234999
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(4-methoxyphenyl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@]3(CCN(c4ccccc4)C3)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-26-20-10-8-18(9-11-20)21(25)24-14-5-12-22(17-24)13-15-23(16-22)19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3/t22-/m0/s1
InChIKeyJRSWBCOSVSBLMN-QFIPXVFZSA-N
XLogP3.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 48041
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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3234999) is (4-methoxyphenyl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone is COc1ccc(C(=O)N2CCC[C@@]3(CCN(c4ccccc4)C3)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is JRSWBCOSVSBLMN-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-20-10-8-18(9-11-20)21(25)24-14-5-12-22(17-24)13-15-23(16-22)19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3/t22-/m0/s1.
What are the key properties of (4-methoxyphenyl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(4-methoxyphenyl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 350.46 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3234999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).