2-cyclopropyl-9-[(2,5-dimethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C21H30N2O — CID 70751353

IUPAC2-cyclopropyl-9-[(2,5-dimethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(C)c(CN2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1
InChIInChI=1S/C21H30N2O/c1-16-3-4-17(2)18(13-16)14-22-11-9-21(10-12-22)8-7-20(24)23(15-21)19-5-6-19/h3-4,13,19H,5-12,14-15H2,1-2H3
InChIKeyFZCMWRZWDLIPSQ-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.67
Rot. Bonds3

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

2-cyclopropyl-9-[(2,5-dimethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70751353) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-cyclopropyl-9-[(2,5-dimethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-9-[(2,5-dimethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70751353
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name2-cyclopropyl-9-[(2,5-dimethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(C)c(CN2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1
InChIInChI=1S/C21H30N2O/c1-16-3-4-17(2)18(13-16)14-22-11-9-21(10-12-22)8-7-20(24)23(15-21)19-5-6-19/h3-4,13,19H,5-12,14-15H2,1-2H3
InChIKeyFZCMWRZWDLIPSQ-UHFFFAOYSA-N
XLogP3.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-9-[(2,5-dimethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-9-[(2,5-dimethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70751353) is 2-cyclopropyl-9-[(2,5-dimethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-9-[(2,5-dimethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-9-[(2,5-dimethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1ccc(C)c(CN2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1.
What is the InChIKey of 2-cyclopropyl-9-[(2,5-dimethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FZCMWRZWDLIPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-16-3-4-17(2)18(13-16)14-22-11-9-21(10-12-22)8-7-20(24)23(15-21)19-5-6-19/h3-4,13,19H,5-12,14-15H2,1-2H3.
What are the key properties of 2-cyclopropyl-9-[(2,5-dimethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-9-[(2,5-dimethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 326.48 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-9-[(2,5-dimethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70751353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).