(7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile

C16H20N2O2 — CID 102337604

IUPAC(7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile
SMILESC[C@H](c1ccccc1)N1CCC2(C[C@@H]1C#N)OCCO2
InChIInChI=1S/C16H20N2O2/c1-13(14-5-3-2-4-6-14)18-8-7-16(11-15(18)12-17)19-9-10-20-16/h2-6,13,15H,7-11H2,1H3/t13-,15-/m1/s1
InChIKeyGDHYACPZPXKJBZ-UKRRQHHQSA-N
MW272.35 g/mol
LogP2.48
Rot. Bonds2

About (7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile

(7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile (PubChem CID 102337604) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile.

Molecular Properties

Compound Name(7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile
PubChem CID102337604
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile
SMILESC[C@H](c1ccccc1)N1CCC2(C[C@@H]1C#N)OCCO2
InChIInChI=1S/C16H20N2O2/c1-13(14-5-3-2-4-6-14)18-8-7-16(11-15(18)12-17)19-9-10-20-16/h2-6,13,15H,7-11H2,1H3/t13-,15-/m1/s1
InChIKeyGDHYACPZPXKJBZ-UKRRQHHQSA-N
XLogP2.48
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile with MolForge

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Related Compounds

AJ-190/13485012
CID 899309
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449
2-N-Benzyl-2,6-dideoxy-2,6-imino-3,4-O-isopropylidene-D-allononitrile
CID 102360785
2-N-Benzyl-2,6-dideoxy-2,6-imino-3,4-O-isopropylidene-3-C-methyl-D-allononitrile
CID 102360791
4-[1-(4,4-Dimethoxybutan-2-yl)pyrrolidin-2-yl]benzonitrile
CID 138972823
(4S)-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)-4-phenylbutanenitrile
CID 124592672
8-[(2-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6464317
8-[(3-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091
8-[(4-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467323
1-Benzyl-1,2,3,6-tetrahydro-4-(2-methyl-1,3-dioxolan-2-yl)pyridine
CID 11971149
8-[1-(4-Fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 51076811
8-(2,2,2-Trifluoro-1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 53619112

Frequently Asked Questions

What is the IUPAC name of (7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile?
The IUPAC name of (7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile (CID 102337604) is (7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile.
What is the SMILES notation for (7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile?
The canonical SMILES for (7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile is C[C@H](c1ccccc1)N1CCC2(C[C@@H]1C#N)OCCO2.
What is the InChIKey of (7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile?
The InChIKey is GDHYACPZPXKJBZ-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-13(14-5-3-2-4-6-14)18-8-7-16(11-15(18)12-17)19-9-10-20-16/h2-6,13,15H,7-11H2,1H3/t13-,15-/m1/s1.
What are the key properties of (7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile?
(7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-[(1R)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile is sourced from PubChem (CID 102337604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).