2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C22H32N2O3 — CID 70779908

IUPAC2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc(OC)c1
InChIInChI=1S/C22H32N2O3/c1-26-19-11-18(12-20(13-19)27-2)14-23-9-7-22(8-10-23)6-5-21(25)24(16-22)15-17-3-4-17/h11-13,17H,3-10,14-16H2,1-2H3
InChIKeyRGPLFOQMESQCMT-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.32
Rot. Bonds6

About 2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70779908) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70779908
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc(OC)c1
InChIInChI=1S/C22H32N2O3/c1-26-19-11-18(12-20(13-19)27-2)14-23-9-7-22(8-10-23)6-5-21(25)24(16-22)15-17-3-4-17/h11-13,17H,3-10,14-16H2,1-2H3
InChIKeyRGPLFOQMESQCMT-UHFFFAOYSA-N
XLogP3.32
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70779908) is 2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is COc1cc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc(OC)c1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is RGPLFOQMESQCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-26-19-11-18(12-20(13-19)27-2)14-23-9-7-22(8-10-23)6-5-21(25)24(16-22)15-17-3-4-17/h11-13,17H,3-10,14-16H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 372.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70779908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).