(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone

C21H27N3O3 — CID 56752988

IUPAC(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone
SMILESCN1CCC2(CC1)CN(C(=O)c1ccc(Oc3ccccc3)o1)CCN2C
InChIInChI=1S/C21H27N3O3/c1-22-12-10-21(11-13-22)16-24(15-14-23(21)2)20(25)18-8-9-19(27-18)26-17-6-4-3-5-7-17/h3-9H,10-16H2,1-2H3
InChIKeyKGHKIIGTZFMIRV-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.92
Rot. Bonds3

About (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone

(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone (PubChem CID 56752988) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone.

Molecular Properties

Compound Name(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone
PubChem CID56752988
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC Name(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone
SMILESCN1CCC2(CC1)CN(C(=O)c1ccc(Oc3ccccc3)o1)CCN2C
InChIInChI=1S/C21H27N3O3/c1-22-12-10-21(11-13-22)16-24(15-14-23(21)2)20(25)18-8-9-19(27-18)26-17-6-4-3-5-7-17/h3-9H,10-16H2,1-2H3
InChIKeyKGHKIIGTZFMIRV-UHFFFAOYSA-N
XLogP2.92
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone with MolForge

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Related Compounds

3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56893691
4-(5-ethoxyfuran-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72850908
(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone
CID 166216191
(6R)-10-ethyl-4-(5-methoxyfuran-2-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97152716
[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119561915
[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 95885617
(4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone
CID 44585644
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(5-phenoxyfuran-2-yl)methanone
CID 135098413
1,4-diazepan-1-yl-(5-phenoxyfuran-2-yl)methanone
CID 119416420
[7-(1-hydroxy-2-methylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(5-phenoxyfuran-2-yl)methanone
CID 118756632
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 120657669
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 56891178

Frequently Asked Questions

What is the IUPAC name of (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone?
The IUPAC name of (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone (CID 56752988) is (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone.
What is the SMILES notation for (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone?
The canonical SMILES for (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone is CN1CCC2(CC1)CN(C(=O)c1ccc(Oc3ccccc3)o1)CCN2C.
What is the InChIKey of (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone?
The InChIKey is KGHKIIGTZFMIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-22-12-10-21(11-13-22)16-24(15-14-23(21)2)20(25)18-8-9-19(27-18)26-17-6-4-3-5-7-17/h3-9H,10-16H2,1-2H3.
What are the key properties of (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone?
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone has a molecular weight of 369.46 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone is sourced from PubChem (CID 56752988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).