(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone

C24H30N2O2 — CID 3233861

IUPAC(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CCCN(Cc4ccccc4)C3)CC2)cc1
InChIInChI=1S/C24H30N2O2/c1-28-22-10-8-21(9-11-22)23(27)26-16-13-24(14-17-26)12-5-15-25(19-24)18-20-6-3-2-4-7-20/h2-4,6-11H,5,12-19H2,1H3
InChIKeyAUTHVWTYZHDMLG-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.21
Rot. Bonds4

About (2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone

(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone (PubChem CID 3233861) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone
PubChem CID3233861
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CCCN(Cc4ccccc4)C3)CC2)cc1
InChIInChI=1S/C24H30N2O2/c1-28-22-10-8-21(9-11-22)23(27)26-16-13-24(14-17-26)12-5-15-25(19-24)18-20-6-3-2-4-7-20/h2-4,6-11H,5,12-19H2,1H3
InChIKeyAUTHVWTYZHDMLG-UHFFFAOYSA-N
XLogP4.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide
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N-(4-methoxyphenethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone (CID 3233861) is (2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC3(CCCN(Cc4ccccc4)C3)CC2)cc1.
What is the InChIKey of (2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone?
The InChIKey is AUTHVWTYZHDMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-28-22-10-8-21(9-11-22)23(27)26-16-13-24(14-17-26)12-5-15-25(19-24)18-20-6-3-2-4-7-20/h2-4,6-11H,5,12-19H2,1H3.
What are the key properties of (2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone?
(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone has a molecular weight of 378.52 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 3233861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).