2-[(2,3-dimethylimidazol-4-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one

C19H32N4O — CID 45201161

IUPAC2-[(2,3-dimethylimidazol-4-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ncc(CN2CCC3(CCCN(CC(C)(C)C)C3=O)C2)n1C
InChIInChI=1S/C19H32N4O/c1-15-20-11-16(21(15)5)12-22-10-8-19(14-22)7-6-9-23(17(19)24)13-18(2,3)4/h11H,6-10,12-14H2,1-5H3
InChIKeyURFXDZGFHVDBBZ-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.59
Rot. Bonds3

About 2-[(2,3-dimethylimidazol-4-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one

2-[(2,3-dimethylimidazol-4-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45201161) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[(2,3-dimethylimidazol-4-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(2,3-dimethylimidazol-4-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45201161
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name2-[(2,3-dimethylimidazol-4-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ncc(CN2CCC3(CCCN(CC(C)(C)C)C3=O)C2)n1C
InChIInChI=1S/C19H32N4O/c1-15-20-11-16(21(15)5)12-22-10-8-19(14-22)7-6-9-23(17(19)24)13-18(2,3)4/h11H,6-10,12-14H2,1-5H3
InChIKeyURFXDZGFHVDBBZ-UHFFFAOYSA-N
XLogP2.59
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylimidazol-4-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(2,3-dimethylimidazol-4-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45201161) is 2-[(2,3-dimethylimidazol-4-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(2,3-dimethylimidazol-4-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(2,3-dimethylimidazol-4-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1ncc(CN2CCC3(CCCN(CC(C)(C)C)C3=O)C2)n1C.
What is the InChIKey of 2-[(2,3-dimethylimidazol-4-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is URFXDZGFHVDBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-15-20-11-16(21(15)5)12-22-10-8-19(14-22)7-6-9-23(17(19)24)13-18(2,3)4/h11H,6-10,12-14H2,1-5H3.
What are the key properties of 2-[(2,3-dimethylimidazol-4-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
2-[(2,3-dimethylimidazol-4-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 332.49 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylimidazol-4-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45201161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).