(5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one

C30H38Cl2N4O2 — CID 159763896

IUPAC(5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
SMILESN[C@@H]1CCC[C@@]2(CCN(c3cccc(Cl)c3)C2=O)C1.N[C@H]1CCC[C@]2(CCN(c3cccc(Cl)c3)C2=O)C1
InChIInChI=1S/2C15H19ClN2O/c2*16-11-3-1-5-13(9-11)18-8-7-15(14(18)19)6-2-4-12(17)10-15/h2*1,3,5,9,12H,2,4,6-8,10,17H2/t2*12-,15-/m10/s1
InChIKeyNFGCVVKSKITHQJ-IQHIFGMZSA-N
MW557.57 g/mol
LogP5.93
Rot. Bonds2

About (5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one

(5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 159763896) has the molecular formula C30H38Cl2N4O2 and a molecular weight of 557.57 g/mol. Its IUPAC name is (5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
PubChem CID159763896
Molecular FormulaC30H38Cl2N4O2
Molecular Weight557.57 g/mol
Exact Mass556.24
IUPAC Name(5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
SMILESN[C@@H]1CCC[C@@]2(CCN(c3cccc(Cl)c3)C2=O)C1.N[C@H]1CCC[C@]2(CCN(c3cccc(Cl)c3)C2=O)C1
InChIInChI=1S/2C15H19ClN2O/c2*16-11-3-1-5-13(9-11)18-8-7-15(14(18)19)6-2-4-12(17)10-15/h2*1,3,5,9,12H,2,4,6-8,10,17H2/t2*12-,15-/m10/s1
InChIKeyNFGCVVKSKITHQJ-IQHIFGMZSA-N
XLogP5.93
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.57
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one
CID 70653883
(5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 58237139
8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 122672568
7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one
CID 70653931
2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074479
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 75951009
N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide
CID 52911751
2-(3-chlorophenyl)-8-(2-pyrrolidin-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 176914378
1-[2-(3-chlorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pentane-1,4-dione
CID 176914336
7-amino-2-(6-methylpyrazin-2-yl)-2-azaspiro[4.5]decan-1-one
CID 70653918
8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 140874804
(5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one
CID 58237246

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of (5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one (CID 159763896) is (5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for (5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one is N[C@@H]1CCC[C@@]2(CCN(c3cccc(Cl)c3)C2=O)C1.N[C@H]1CCC[C@]2(CCN(c3cccc(Cl)c3)C2=O)C1.
What is the InChIKey of (5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is NFGCVVKSKITHQJ-IQHIFGMZSA-N. The full InChI is InChI=1S/2C15H19ClN2O/c2*16-11-3-1-5-13(9-11)18-8-7-15(14(18)19)6-2-4-12(17)10-15/h2*1,3,5,9,12H,2,4,6-8,10,17H2/t2*12-,15-/m10/s1.
What are the key properties of (5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one?
(5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 557.57 g/mol, XLogP of 5.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 159763896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).